USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 484 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-3.8!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.356 F(o=-1.5,f=-0.36) USER MOD Single : A 24 GLN : amide:sc= -0.094 K(o=-0.094,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.18 USER MOD Single : A 35 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0496) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 114:sc= -0.344 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 41:sc= 0.105 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0803 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.440 -17.762 -7.509 1.00 0.00 N ATOM 2 CA GLY A 1 -16.876 -16.540 -6.855 1.00 0.00 C ATOM 3 C GLY A 1 -18.398 -16.397 -6.919 1.00 0.00 C ATOM 4 O GLY A 1 -18.978 -16.369 -8.004 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.404 -17.836 -7.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.872 -18.582 -7.037 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.731 -17.745 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.551 -16.544 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.406 -15.680 -7.332 1.00 0.00 H new ATOM 8 N SER A 2 -19.003 -16.310 -5.743 1.00 0.00 N ATOM 9 CA SER A 2 -20.446 -16.171 -5.652 1.00 0.00 C ATOM 10 C SER A 2 -20.859 -15.941 -4.197 1.00 0.00 C ATOM 11 O SER A 2 -21.479 -14.928 -3.876 1.00 0.00 O ATOM 12 CB SER A 2 -21.155 -17.404 -6.217 1.00 0.00 C ATOM 13 OG SER A 2 -22.493 -17.115 -6.613 1.00 0.00 O ATOM 0 H SER A 2 -18.519 -16.333 -4.845 1.00 0.00 H new ATOM 0 HA SER A 2 -20.745 -15.309 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.597 -17.782 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.162 -18.194 -5.466 1.00 0.00 H new ATOM 0 HG SER A 2 -22.911 -17.926 -6.970 1.00 0.00 H new ATOM 19 N SER A 3 -20.498 -16.898 -3.355 1.00 0.00 N ATOM 20 CA SER A 3 -20.824 -16.813 -1.941 1.00 0.00 C ATOM 21 C SER A 3 -19.579 -16.426 -1.140 1.00 0.00 C ATOM 22 O SER A 3 -18.463 -16.480 -1.656 1.00 0.00 O ATOM 23 CB SER A 3 -21.395 -18.135 -1.427 1.00 0.00 C ATOM 24 OG SER A 3 -22.485 -17.933 -0.530 1.00 0.00 O ATOM 0 H SER A 3 -19.983 -17.736 -3.624 1.00 0.00 H new ATOM 0 HA SER A 3 -21.586 -16.044 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.727 -18.739 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.609 -18.697 -0.922 1.00 0.00 H new ATOM 0 HG SER A 3 -22.823 -18.801 -0.225 1.00 0.00 H new ATOM 30 N GLY A 4 -19.812 -16.044 0.107 1.00 0.00 N ATOM 31 CA GLY A 4 -18.723 -15.648 0.984 1.00 0.00 C ATOM 32 C GLY A 4 -18.792 -14.153 1.303 1.00 0.00 C ATOM 33 O GLY A 4 -18.922 -13.327 0.400 1.00 0.00 O ATOM 0 H GLY A 4 -20.739 -16.000 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.768 -16.223 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.768 -15.879 0.511 1.00 0.00 H new ATOM 37 N SER A 5 -18.702 -13.850 2.590 1.00 0.00 N ATOM 38 CA SER A 5 -18.752 -12.469 3.039 1.00 0.00 C ATOM 39 C SER A 5 -17.342 -11.973 3.363 1.00 0.00 C ATOM 40 O SER A 5 -16.436 -12.772 3.595 1.00 0.00 O ATOM 41 CB SER A 5 -19.662 -12.320 4.260 1.00 0.00 C ATOM 42 OG SER A 5 -20.715 -11.388 4.031 1.00 0.00 O ATOM 0 H SER A 5 -18.595 -14.537 3.336 1.00 0.00 H new ATOM 0 HA SER A 5 -19.167 -11.862 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.087 -13.291 4.516 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.070 -11.995 5.116 1.00 0.00 H new ATOM 0 HG SER A 5 -21.274 -11.323 4.833 1.00 0.00 H new ATOM 48 N SER A 6 -17.200 -10.655 3.370 1.00 0.00 N ATOM 49 CA SER A 6 -15.915 -10.043 3.662 1.00 0.00 C ATOM 50 C SER A 6 -15.284 -10.709 4.887 1.00 0.00 C ATOM 51 O SER A 6 -15.871 -10.712 5.967 1.00 0.00 O ATOM 52 CB SER A 6 -16.063 -8.538 3.894 1.00 0.00 C ATOM 53 OG SER A 6 -14.940 -7.809 3.404 1.00 0.00 O ATOM 0 H SER A 6 -17.953 -9.995 3.178 1.00 0.00 H new ATOM 0 HA SER A 6 -15.263 -10.189 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.968 -8.183 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.183 -8.346 4.960 1.00 0.00 H new ATOM 0 HG SER A 6 -15.074 -6.852 3.569 1.00 0.00 H new ATOM 59 N GLY A 7 -14.097 -11.257 4.676 1.00 0.00 N ATOM 60 CA GLY A 7 -13.380 -11.925 5.749 1.00 0.00 C ATOM 61 C GLY A 7 -12.521 -10.932 6.535 1.00 0.00 C ATOM 62 O GLY A 7 -12.971 -9.834 6.856 1.00 0.00 O ATOM 0 H GLY A 7 -13.613 -11.252 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.090 -12.408 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.748 -12.710 5.335 1.00 0.00 H new ATOM 66 N LEU A 8 -11.299 -11.355 6.824 1.00 0.00 N ATOM 67 CA LEU A 8 -10.373 -10.517 7.566 1.00 0.00 C ATOM 68 C LEU A 8 -9.006 -11.203 7.625 1.00 0.00 C ATOM 69 O LEU A 8 -8.921 -12.404 7.874 1.00 0.00 O ATOM 70 CB LEU A 8 -10.947 -10.172 8.942 1.00 0.00 C ATOM 71 CG LEU A 8 -11.039 -8.682 9.276 1.00 0.00 C ATOM 72 CD1 LEU A 8 -12.442 -8.315 9.763 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.959 -8.277 10.281 1.00 0.00 C ATOM 0 H LEU A 8 -10.929 -12.267 6.558 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.231 -9.564 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.946 -10.603 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.334 -10.657 9.701 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.857 -8.116 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.480 -7.250 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.169 -8.544 8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.678 -8.889 10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.047 -7.213 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.084 -8.849 11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.975 -8.480 9.859 1.00 0.00 H new ATOM 85 N LEU A 9 -7.971 -10.409 7.392 1.00 0.00 N ATOM 86 CA LEU A 9 -6.613 -10.924 7.415 1.00 0.00 C ATOM 87 C LEU A 9 -5.679 -9.864 8.002 1.00 0.00 C ATOM 88 O LEU A 9 -5.896 -8.668 7.812 1.00 0.00 O ATOM 89 CB LEU A 9 -6.198 -11.406 6.023 1.00 0.00 C ATOM 90 CG LEU A 9 -5.429 -12.728 5.972 1.00 0.00 C ATOM 91 CD1 LEU A 9 -6.369 -13.897 5.673 1.00 0.00 C ATOM 92 CD2 LEU A 9 -4.274 -12.651 4.972 1.00 0.00 C ATOM 0 H LEU A 9 -8.046 -9.413 7.186 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.549 -11.799 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.096 -11.507 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.584 -10.633 5.561 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.993 -12.909 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.798 -14.825 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.127 -13.963 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.853 -13.737 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.744 -13.603 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.667 -12.437 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.587 -11.858 5.269 1.00 0.00 H new ATOM 104 N SER A 10 -4.661 -10.340 8.702 1.00 0.00 N ATOM 105 CA SER A 10 -3.694 -9.447 9.318 1.00 0.00 C ATOM 106 C SER A 10 -4.387 -8.555 10.349 1.00 0.00 C ATOM 107 O SER A 10 -5.312 -7.817 10.014 1.00 0.00 O ATOM 108 CB SER A 10 -2.986 -8.591 8.266 1.00 0.00 C ATOM 109 OG SER A 10 -1.713 -8.136 8.716 1.00 0.00 O ATOM 0 H SER A 10 -4.484 -11.333 8.857 1.00 0.00 H new ATOM 0 HA SER A 10 -2.941 -10.054 9.820 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.861 -9.171 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.610 -7.733 8.017 1.00 0.00 H new ATOM 0 HG SER A 10 -1.293 -7.595 8.015 1.00 0.00 H new ATOM 115 N HIS A 11 -3.914 -8.653 11.583 1.00 0.00 N ATOM 116 CA HIS A 11 -4.477 -7.864 12.665 1.00 0.00 C ATOM 117 C HIS A 11 -3.349 -7.306 13.535 1.00 0.00 C ATOM 118 O HIS A 11 -2.181 -7.629 13.325 1.00 0.00 O ATOM 119 CB HIS A 11 -5.493 -8.684 13.464 1.00 0.00 C ATOM 120 CG HIS A 11 -6.908 -8.167 13.372 1.00 0.00 C ATOM 121 ND1 HIS A 11 -7.241 -6.845 13.612 1.00 0.00 N ATOM 122 CD2 HIS A 11 -8.072 -8.807 13.063 1.00 0.00 C ATOM 123 CE1 HIS A 11 -8.549 -6.708 13.452 1.00 0.00 C ATOM 124 NE2 HIS A 11 -9.063 -7.925 13.112 1.00 0.00 N ATOM 0 H HIS A 11 -3.147 -9.267 11.857 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.025 -7.016 12.254 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -5.470 -9.715 13.111 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -5.190 -8.699 14.511 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -6.590 -6.103 13.868 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.171 -9.855 12.820 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -9.110 -5.793 13.570 1.00 0.00 H new ATOM 132 N MET A 12 -3.738 -6.480 14.495 1.00 0.00 N ATOM 133 CA MET A 12 -2.774 -5.875 15.398 1.00 0.00 C ATOM 134 C MET A 12 -1.804 -4.969 14.637 1.00 0.00 C ATOM 135 O MET A 12 -1.498 -5.220 13.472 1.00 0.00 O ATOM 136 CB MET A 12 -1.989 -6.973 16.118 1.00 0.00 C ATOM 137 CG MET A 12 -2.500 -7.165 17.547 1.00 0.00 C ATOM 138 SD MET A 12 -2.331 -8.874 18.032 1.00 0.00 S ATOM 139 CE MET A 12 -2.030 -8.672 19.780 1.00 0.00 C ATOM 0 H MET A 12 -4.708 -6.215 14.667 1.00 0.00 H new ATOM 0 HA MET A 12 -3.315 -5.268 16.124 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.078 -7.909 15.567 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.930 -6.714 16.138 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.940 -6.527 18.231 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.545 -6.862 17.612 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.900 -9.651 20.242 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.128 -8.079 19.928 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.878 -8.163 20.239 1.00 0.00 H new ATOM 149 N ASP A 13 -1.347 -3.934 15.326 1.00 0.00 N ATOM 150 CA ASP A 13 -0.417 -2.989 14.730 1.00 0.00 C ATOM 151 C ASP A 13 1.010 -3.353 15.145 1.00 0.00 C ATOM 152 O ASP A 13 1.881 -3.530 14.295 1.00 0.00 O ATOM 153 CB ASP A 13 -0.699 -1.563 15.207 1.00 0.00 C ATOM 154 CG ASP A 13 -2.178 -1.170 15.233 1.00 0.00 C ATOM 155 OD1 ASP A 13 -2.871 -1.629 16.167 1.00 0.00 O ATOM 156 OD2 ASP A 13 -2.582 -0.420 14.319 1.00 0.00 O ATOM 0 H ASP A 13 -1.603 -3.729 16.292 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.535 -3.037 13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.289 -1.444 16.210 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.165 -0.867 14.560 1.00 0.00 H new ATOM 161 N ASP A 14 1.204 -3.454 16.452 1.00 0.00 N ATOM 162 CA ASP A 14 2.511 -3.793 16.990 1.00 0.00 C ATOM 163 C ASP A 14 3.491 -2.657 16.692 1.00 0.00 C ATOM 164 O ASP A 14 3.563 -2.174 15.564 1.00 0.00 O ATOM 165 CB ASP A 14 3.056 -5.070 16.346 1.00 0.00 C ATOM 166 CG ASP A 14 2.040 -6.204 16.196 1.00 0.00 C ATOM 167 OD1 ASP A 14 1.044 -6.177 16.951 1.00 0.00 O ATOM 168 OD2 ASP A 14 2.283 -7.072 15.330 1.00 0.00 O ATOM 0 H ASP A 14 0.479 -3.307 17.154 1.00 0.00 H new ATOM 0 HA ASP A 14 2.405 -3.947 18.064 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.449 -4.822 15.360 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.894 -5.430 16.942 1.00 0.00 H new ATOM 173 N PRO A 15 4.242 -2.253 17.752 1.00 0.00 N ATOM 174 CA PRO A 15 5.215 -1.183 17.616 1.00 0.00 C ATOM 175 C PRO A 15 6.462 -1.667 16.873 1.00 0.00 C ATOM 176 O PRO A 15 7.283 -0.861 16.440 1.00 0.00 O ATOM 177 CB PRO A 15 5.508 -0.734 19.038 1.00 0.00 C ATOM 178 CG PRO A 15 5.046 -1.869 19.937 1.00 0.00 C ATOM 179 CD PRO A 15 4.184 -2.803 19.104 1.00 0.00 C ATOM 0 HA PRO A 15 4.844 -0.351 17.018 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.571 -0.536 19.174 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.979 0.190 19.273 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.903 -2.404 20.347 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.479 -1.479 20.783 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.564 -3.824 19.133 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.160 -2.834 19.476 1.00 0.00 H new ATOM 187 N ASP A 16 6.564 -2.983 16.748 1.00 0.00 N ATOM 188 CA ASP A 16 7.696 -3.584 16.065 1.00 0.00 C ATOM 189 C ASP A 16 7.429 -5.076 15.859 1.00 0.00 C ATOM 190 O ASP A 16 8.201 -5.918 16.314 1.00 0.00 O ATOM 191 CB ASP A 16 8.976 -3.443 16.892 1.00 0.00 C ATOM 192 CG ASP A 16 10.248 -3.942 16.204 1.00 0.00 C ATOM 193 OD1 ASP A 16 10.355 -3.721 14.978 1.00 0.00 O ATOM 194 OD2 ASP A 16 11.086 -4.532 16.919 1.00 0.00 O ATOM 0 H ASP A 16 5.881 -3.649 17.109 1.00 0.00 H new ATOM 0 HA ASP A 16 7.824 -3.073 15.111 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.109 -2.393 17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.849 -3.989 17.827 1.00 0.00 H new ATOM 199 N ILE A 17 6.331 -5.359 15.172 1.00 0.00 N ATOM 200 CA ILE A 17 5.952 -6.735 14.900 1.00 0.00 C ATOM 201 C ILE A 17 5.741 -7.472 16.224 1.00 0.00 C ATOM 202 O ILE A 17 6.678 -7.633 17.005 1.00 0.00 O ATOM 203 CB ILE A 17 6.978 -7.401 13.981 1.00 0.00 C ATOM 204 CG1 ILE A 17 7.036 -6.699 12.623 1.00 0.00 C ATOM 205 CG2 ILE A 17 6.697 -8.899 13.841 1.00 0.00 C ATOM 206 CD1 ILE A 17 5.881 -7.147 11.725 1.00 0.00 C ATOM 0 H ILE A 17 5.692 -4.658 14.796 1.00 0.00 H new ATOM 0 HA ILE A 17 5.005 -6.771 14.361 1.00 0.00 H new ATOM 0 HB ILE A 17 7.963 -7.299 14.438 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.993 -5.619 12.766 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.986 -6.919 12.136 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.440 -9.349 13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.747 -9.372 14.822 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.703 -9.045 13.419 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.945 -6.633 10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.941 -8.223 11.565 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.932 -6.904 12.204 1.00 0.00 H new ATOM 218 N ASP A 18 4.505 -7.901 16.435 1.00 0.00 N ATOM 219 CA ASP A 18 4.160 -8.617 17.651 1.00 0.00 C ATOM 220 C ASP A 18 3.760 -10.051 17.297 1.00 0.00 C ATOM 221 O ASP A 18 2.578 -10.392 17.309 1.00 0.00 O ATOM 222 CB ASP A 18 2.975 -7.959 18.360 1.00 0.00 C ATOM 223 CG ASP A 18 2.796 -8.357 19.827 1.00 0.00 C ATOM 224 OD1 ASP A 18 3.562 -7.822 20.658 1.00 0.00 O ATOM 225 OD2 ASP A 18 1.898 -9.188 20.084 1.00 0.00 O ATOM 0 H ASP A 18 3.731 -7.766 15.785 1.00 0.00 H new ATOM 0 HA ASP A 18 5.029 -8.602 18.309 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.093 -6.877 18.305 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.063 -8.208 17.818 1.00 0.00 H new ATOM 230 N ALA A 19 4.769 -10.853 16.989 1.00 0.00 N ATOM 231 CA ALA A 19 4.538 -12.243 16.631 1.00 0.00 C ATOM 232 C ALA A 19 5.743 -13.082 17.061 1.00 0.00 C ATOM 233 O ALA A 19 6.849 -12.562 17.200 1.00 0.00 O ATOM 234 CB ALA A 19 4.263 -12.345 15.130 1.00 0.00 C ATOM 0 H ALA A 19 5.748 -10.567 16.980 1.00 0.00 H new ATOM 0 HA ALA A 19 3.662 -12.633 17.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.090 -13.387 14.862 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.381 -11.755 14.881 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.122 -11.966 14.576 1.00 0.00 H new ATOM 240 N PRO A 20 5.480 -14.401 17.266 1.00 0.00 N ATOM 241 CA PRO A 20 6.530 -15.318 17.678 1.00 0.00 C ATOM 242 C PRO A 20 7.459 -15.648 16.508 1.00 0.00 C ATOM 243 O PRO A 20 7.678 -16.818 16.196 1.00 0.00 O ATOM 244 CB PRO A 20 5.799 -16.536 18.218 1.00 0.00 C ATOM 245 CG PRO A 20 4.385 -16.453 17.665 1.00 0.00 C ATOM 246 CD PRO A 20 4.183 -15.052 17.111 1.00 0.00 C ATOM 0 HA PRO A 20 7.185 -14.894 18.439 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.288 -17.457 17.902 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.793 -16.536 19.308 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.237 -17.198 16.883 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.656 -16.663 18.448 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.877 -15.080 16.065 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.405 -14.519 17.657 1.00 0.00 H new ATOM 254 N ILE A 21 7.980 -14.597 15.892 1.00 0.00 N ATOM 255 CA ILE A 21 8.880 -14.761 14.764 1.00 0.00 C ATOM 256 C ILE A 21 8.137 -15.456 13.621 1.00 0.00 C ATOM 257 O ILE A 21 7.420 -16.430 13.843 1.00 0.00 O ATOM 258 CB ILE A 21 10.157 -15.485 15.197 1.00 0.00 C ATOM 259 CG1 ILE A 21 11.057 -14.563 16.021 1.00 0.00 C ATOM 260 CG2 ILE A 21 10.890 -16.074 13.990 1.00 0.00 C ATOM 261 CD1 ILE A 21 11.975 -15.371 16.940 1.00 0.00 C ATOM 0 H ILE A 21 7.796 -13.628 16.153 1.00 0.00 H new ATOM 0 HA ILE A 21 9.203 -13.789 14.391 1.00 0.00 H new ATOM 0 HB ILE A 21 9.876 -16.319 15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.657 -13.944 15.354 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.443 -13.887 16.617 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.794 -16.583 14.326 1.00 0.00 H new ATOM 0 HG22 ILE A 21 10.240 -16.786 13.482 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.159 -15.273 13.301 1.00 0.00 H new ATOM 0 HD11 ILE A 21 12.604 -14.691 17.515 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.371 -15.970 17.622 1.00 0.00 H new ATOM 0 HD13 ILE A 21 12.604 -16.028 16.340 1.00 0.00 H new ATOM 273 N SER A 22 8.334 -14.928 12.422 1.00 0.00 N ATOM 274 CA SER A 22 7.692 -15.485 11.244 1.00 0.00 C ATOM 275 C SER A 22 6.172 -15.364 11.370 1.00 0.00 C ATOM 276 O SER A 22 5.631 -15.416 12.474 1.00 0.00 O ATOM 277 CB SER A 22 8.093 -16.947 11.037 1.00 0.00 C ATOM 278 OG SER A 22 7.481 -17.510 9.880 1.00 0.00 O ATOM 0 H SER A 22 8.930 -14.120 12.241 1.00 0.00 H new ATOM 0 HA SER A 22 8.024 -14.919 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.177 -17.016 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.811 -17.528 11.915 1.00 0.00 H new ATOM 0 HG SER A 22 7.763 -18.443 9.782 1.00 0.00 H new ATOM 284 N HIS A 23 5.526 -15.206 10.224 1.00 0.00 N ATOM 285 CA HIS A 23 4.079 -15.077 10.193 1.00 0.00 C ATOM 286 C HIS A 23 3.624 -14.741 8.772 1.00 0.00 C ATOM 287 O HIS A 23 4.318 -14.031 8.046 1.00 0.00 O ATOM 288 CB HIS A 23 3.601 -14.055 11.226 1.00 0.00 C ATOM 289 CG HIS A 23 2.587 -14.597 12.204 1.00 0.00 C ATOM 290 ND1 HIS A 23 2.728 -15.015 13.495 1.00 0.00 N flip ATOM 291 CD2 HIS A 23 1.250 -14.758 11.886 1.00 0.00 C flip ATOM 292 CE1 HIS A 23 1.542 -15.408 13.941 1.00 0.00 C flip ATOM 293 NE2 HIS A 23 0.624 -15.250 12.945 1.00 0.00 N flip ATOM 0 H HIS A 23 5.978 -15.164 9.310 1.00 0.00 H new ATOM 0 HA HIS A 23 3.620 -16.026 10.469 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.463 -13.684 11.781 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.167 -13.202 10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.794 -14.523 10.936 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.337 -15.790 14.930 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.370 -15.472 13.005 1.00 0.00 H new ATOM 301 N GLN A 24 2.460 -15.266 8.417 1.00 0.00 N ATOM 302 CA GLN A 24 1.905 -15.030 7.095 1.00 0.00 C ATOM 303 C GLN A 24 1.971 -13.541 6.750 1.00 0.00 C ATOM 304 O GLN A 24 1.286 -12.726 7.366 1.00 0.00 O ATOM 305 CB GLN A 24 0.469 -15.551 7.003 1.00 0.00 C ATOM 306 CG GLN A 24 0.151 -16.034 5.587 1.00 0.00 C ATOM 307 CD GLN A 24 0.625 -17.475 5.381 1.00 0.00 C ATOM 308 OE1 GLN A 24 1.786 -17.805 5.557 1.00 0.00 O ATOM 309 NE2 GLN A 24 -0.336 -18.311 4.998 1.00 0.00 N ATOM 0 H GLN A 24 1.886 -15.854 9.022 1.00 0.00 H new ATOM 0 HA GLN A 24 2.503 -15.578 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.329 -16.369 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.227 -14.762 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.923 -15.971 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.633 -15.381 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.288 -17.969 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.121 -19.294 4.833 1.00 0.00 H new ATOM 318 N THR A 25 2.802 -13.231 5.766 1.00 0.00 N ATOM 319 CA THR A 25 2.967 -11.854 5.331 1.00 0.00 C ATOM 320 C THR A 25 2.250 -11.627 3.998 1.00 0.00 C ATOM 321 O THR A 25 2.171 -12.532 3.169 1.00 0.00 O ATOM 322 CB THR A 25 4.466 -11.553 5.274 1.00 0.00 C ATOM 323 OG1 THR A 25 4.529 -10.146 5.052 1.00 0.00 O ATOM 324 CG2 THR A 25 5.138 -12.155 4.038 1.00 0.00 C ATOM 0 H THR A 25 3.369 -13.910 5.257 1.00 0.00 H new ATOM 0 HA THR A 25 2.508 -11.159 6.034 1.00 0.00 H new ATOM 0 HB THR A 25 4.948 -11.938 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.466 -9.864 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.200 -11.912 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.014 -13.238 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.679 -11.745 3.138 1.00 0.00 H new ATOM 332 N SER A 26 1.746 -10.412 3.834 1.00 0.00 N ATOM 333 CA SER A 26 1.039 -10.054 2.617 1.00 0.00 C ATOM 334 C SER A 26 1.990 -9.352 1.646 1.00 0.00 C ATOM 335 O SER A 26 2.802 -8.525 2.056 1.00 0.00 O ATOM 336 CB SER A 26 -0.164 -9.159 2.922 1.00 0.00 C ATOM 337 OG SER A 26 0.228 -7.918 3.501 1.00 0.00 O ATOM 0 H SER A 26 1.814 -9.664 4.524 1.00 0.00 H new ATOM 0 HA SER A 26 0.669 -10.969 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.719 -8.971 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.840 -9.679 3.601 1.00 0.00 H new ATOM 0 HG SER A 26 -0.568 -7.374 3.679 1.00 0.00 H new ATOM 343 N ASP A 27 1.858 -9.708 0.376 1.00 0.00 N ATOM 344 CA ASP A 27 2.696 -9.122 -0.656 1.00 0.00 C ATOM 345 C ASP A 27 2.248 -7.682 -0.915 1.00 0.00 C ATOM 346 O ASP A 27 3.004 -6.883 -1.465 1.00 0.00 O ATOM 347 CB ASP A 27 2.575 -9.898 -1.969 1.00 0.00 C ATOM 348 CG ASP A 27 2.907 -11.388 -1.874 1.00 0.00 C ATOM 349 OD1 ASP A 27 4.064 -11.689 -1.509 1.00 0.00 O ATOM 350 OD2 ASP A 27 1.997 -12.193 -2.167 1.00 0.00 O ATOM 0 H ASP A 27 1.183 -10.395 0.039 1.00 0.00 H new ATOM 0 HA ASP A 27 3.729 -9.155 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.557 -9.791 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.235 -9.441 -2.706 1.00 0.00 H new ATOM 355 N ILE A 28 1.021 -7.395 -0.505 1.00 0.00 N ATOM 356 CA ILE A 28 0.464 -6.066 -0.685 1.00 0.00 C ATOM 357 C ILE A 28 1.348 -5.045 0.034 1.00 0.00 C ATOM 358 O ILE A 28 1.302 -4.931 1.258 1.00 0.00 O ATOM 359 CB ILE A 28 -1.000 -6.033 -0.239 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.858 -6.954 -1.109 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.535 -4.600 -0.220 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.920 -7.668 -0.269 1.00 0.00 C ATOM 0 H ILE A 28 0.397 -8.061 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 28 0.458 -5.796 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.055 -6.410 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.341 -6.373 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.223 -7.690 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.577 -4.605 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.945 -4.001 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.465 -4.172 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.516 -8.316 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.433 -8.267 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.568 -6.929 0.203 1.00 0.00 H new ATOM 374 N ASP A 29 2.134 -4.329 -0.757 1.00 0.00 N ATOM 375 CA ASP A 29 3.027 -3.322 -0.212 1.00 0.00 C ATOM 376 C ASP A 29 2.211 -2.293 0.573 1.00 0.00 C ATOM 377 O ASP A 29 1.153 -1.859 0.121 1.00 0.00 O ATOM 378 CB ASP A 29 3.772 -2.584 -1.326 1.00 0.00 C ATOM 379 CG ASP A 29 4.153 -3.447 -2.531 1.00 0.00 C ATOM 380 OD1 ASP A 29 3.216 -3.916 -3.212 1.00 0.00 O ATOM 381 OD2 ASP A 29 5.373 -3.618 -2.743 1.00 0.00 O ATOM 0 H ASP A 29 2.170 -4.427 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 29 3.748 -3.825 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.151 -1.757 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.680 -2.148 -0.909 1.00 0.00 H new ATOM 386 N GLN A 30 2.734 -1.932 1.736 1.00 0.00 N ATOM 387 CA GLN A 30 2.066 -0.962 2.588 1.00 0.00 C ATOM 388 C GLN A 30 2.025 0.406 1.904 1.00 0.00 C ATOM 389 O GLN A 30 1.066 1.158 2.070 1.00 0.00 O ATOM 390 CB GLN A 30 2.749 -0.872 3.954 1.00 0.00 C ATOM 391 CG GLN A 30 2.011 0.105 4.872 1.00 0.00 C ATOM 392 CD GLN A 30 0.839 -0.582 5.576 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.008 -1.389 6.475 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.356 -0.219 5.118 1.00 0.00 N ATOM 0 H GLN A 30 3.612 -2.294 2.108 1.00 0.00 H new ATOM 0 HA GLN A 30 1.041 -1.295 2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.778 -1.859 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.782 -0.548 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.702 0.504 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.645 0.951 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.427 0.462 4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.201 -0.622 5.522 1.00 0.00 H new ATOM 403 N SER A 31 3.077 0.686 1.149 1.00 0.00 N ATOM 404 CA SER A 31 3.173 1.950 0.439 1.00 0.00 C ATOM 405 C SER A 31 2.069 2.044 -0.615 1.00 0.00 C ATOM 406 O SER A 31 1.534 3.123 -0.866 1.00 0.00 O ATOM 407 CB SER A 31 4.547 2.111 -0.216 1.00 0.00 C ATOM 408 OG SER A 31 5.180 3.330 0.165 1.00 0.00 O ATOM 0 H SER A 31 3.870 0.059 1.013 1.00 0.00 H new ATOM 0 HA SER A 31 3.047 2.757 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.182 1.270 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.438 2.083 -1.300 1.00 0.00 H new ATOM 0 HG SER A 31 6.055 3.395 -0.272 1.00 0.00 H new ATOM 414 N SER A 32 1.759 0.898 -1.205 1.00 0.00 N ATOM 415 CA SER A 32 0.727 0.837 -2.226 1.00 0.00 C ATOM 416 C SER A 32 -0.642 1.122 -1.605 1.00 0.00 C ATOM 417 O SER A 32 -1.359 2.013 -2.057 1.00 0.00 O ATOM 418 CB SER A 32 0.721 -0.526 -2.922 1.00 0.00 C ATOM 419 OG SER A 32 2.023 -0.908 -3.358 1.00 0.00 O ATOM 0 H SER A 32 2.205 0.005 -0.995 1.00 0.00 H new ATOM 0 HA SER A 32 0.943 1.597 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.332 -1.280 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.047 -0.493 -3.778 1.00 0.00 H new ATOM 0 HG SER A 32 1.978 -1.784 -3.796 1.00 0.00 H new ATOM 425 N VAL A 33 -0.963 0.348 -0.580 1.00 0.00 N ATOM 426 CA VAL A 33 -2.234 0.506 0.108 1.00 0.00 C ATOM 427 C VAL A 33 -2.488 1.992 0.365 1.00 0.00 C ATOM 428 O VAL A 33 -3.628 2.451 0.301 1.00 0.00 O ATOM 429 CB VAL A 33 -2.244 -0.333 1.388 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.515 -0.077 2.201 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.087 -1.821 1.070 1.00 0.00 C ATOM 0 H VAL A 33 -0.366 -0.391 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.052 0.139 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.391 -0.029 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.497 -0.685 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.566 0.977 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.388 -0.340 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.097 -2.394 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.910 -2.146 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.142 -1.985 0.553 1.00 0.00 H new ATOM 441 N ASP A 34 -1.408 2.704 0.651 1.00 0.00 N ATOM 442 CA ASP A 34 -1.500 4.129 0.918 1.00 0.00 C ATOM 443 C ASP A 34 -1.648 4.883 -0.405 1.00 0.00 C ATOM 444 O ASP A 34 -2.436 5.822 -0.504 1.00 0.00 O ATOM 445 CB ASP A 34 -0.238 4.642 1.615 1.00 0.00 C ATOM 446 CG ASP A 34 -0.350 6.049 2.204 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.168 7.007 1.422 1.00 0.00 O ATOM 448 OD2 ASP A 34 -0.616 6.135 3.422 1.00 0.00 O ATOM 0 H ASP A 34 -0.464 2.320 0.704 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.362 4.296 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.024 3.950 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.585 4.628 0.900 1.00 0.00 H new ATOM 453 N THR A 35 -0.878 4.443 -1.390 1.00 0.00 N ATOM 454 CA THR A 35 -0.914 5.065 -2.703 1.00 0.00 C ATOM 455 C THR A 35 -2.359 5.215 -3.182 1.00 0.00 C ATOM 456 O THR A 35 -2.664 6.104 -3.975 1.00 0.00 O ATOM 457 CB THR A 35 -0.045 4.230 -3.645 1.00 0.00 C ATOM 458 OG1 THR A 35 1.266 4.340 -3.097 1.00 0.00 O ATOM 459 CG2 THR A 35 0.078 4.855 -5.036 1.00 0.00 C ATOM 0 H THR A 35 -0.226 3.663 -1.305 1.00 0.00 H new ATOM 0 HA THR A 35 -0.508 6.076 -2.674 1.00 0.00 H new ATOM 0 HB THR A 35 -0.465 3.228 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.437 3.580 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.705 4.223 -5.665 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.912 4.944 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.529 5.844 -4.952 1.00 0.00 H new ATOM 467 N LEU A 36 -3.210 4.332 -2.681 1.00 0.00 N ATOM 468 CA LEU A 36 -4.616 4.356 -3.048 1.00 0.00 C ATOM 469 C LEU A 36 -5.394 5.177 -2.018 1.00 0.00 C ATOM 470 O LEU A 36 -6.447 5.732 -2.328 1.00 0.00 O ATOM 471 CB LEU A 36 -5.146 2.932 -3.227 1.00 0.00 C ATOM 472 CG LEU A 36 -4.740 2.223 -4.520 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.492 0.733 -4.274 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.774 2.457 -5.623 1.00 0.00 C ATOM 0 H LEU A 36 -2.953 3.595 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.750 4.846 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.806 2.330 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.235 2.962 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.800 2.654 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.205 0.253 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.692 0.613 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.403 0.271 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.460 1.942 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.742 2.071 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.858 3.525 -5.823 1.00 0.00 H new ATOM 486 N LEU A 37 -4.846 5.228 -0.813 1.00 0.00 N ATOM 487 CA LEU A 37 -5.475 5.972 0.265 1.00 0.00 C ATOM 488 C LEU A 37 -5.631 7.435 -0.154 1.00 0.00 C ATOM 489 O LEU A 37 -6.697 8.024 0.018 1.00 0.00 O ATOM 490 CB LEU A 37 -4.699 5.786 1.570 1.00 0.00 C ATOM 491 CG LEU A 37 -5.002 4.507 2.354 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.917 4.234 3.398 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.397 4.565 2.979 1.00 0.00 C ATOM 0 H LEU A 37 -3.973 4.766 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.476 5.587 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.633 5.805 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.902 6.641 2.215 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.996 3.669 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.156 3.320 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.954 4.119 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.867 5.069 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.587 3.644 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.456 5.414 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.144 4.678 2.193 1.00 0.00 H new ATOM 505 N SER A 38 -4.552 7.980 -0.697 1.00 0.00 N ATOM 506 CA SER A 38 -4.555 9.363 -1.142 1.00 0.00 C ATOM 507 C SER A 38 -5.515 9.531 -2.322 1.00 0.00 C ATOM 508 O SER A 38 -6.333 10.449 -2.335 1.00 0.00 O ATOM 509 CB SER A 38 -3.148 9.819 -1.533 1.00 0.00 C ATOM 510 OG SER A 38 -2.457 10.416 -0.440 1.00 0.00 O ATOM 0 H SER A 38 -3.670 7.488 -0.839 1.00 0.00 H new ATOM 0 HA SER A 38 -4.893 9.988 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.579 8.964 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.213 10.533 -2.354 1.00 0.00 H new ATOM 0 HG SER A 38 -1.562 10.692 -0.730 1.00 0.00 H new ATOM 516 N PHE A 39 -5.382 8.630 -3.284 1.00 0.00 N ATOM 517 CA PHE A 39 -6.227 8.666 -4.465 1.00 0.00 C ATOM 518 C PHE A 39 -7.686 8.935 -4.088 1.00 0.00 C ATOM 519 O PHE A 39 -8.298 9.874 -4.593 1.00 0.00 O ATOM 520 CB PHE A 39 -6.129 7.291 -5.128 1.00 0.00 C ATOM 521 CG PHE A 39 -4.987 7.167 -6.139 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.738 7.593 -5.809 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.220 6.632 -7.367 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.678 7.478 -6.746 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.160 6.517 -8.304 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.911 6.942 -7.974 1.00 0.00 C ATOM 0 H PHE A 39 -4.701 7.870 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.899 9.463 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.999 6.534 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.071 7.074 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.553 8.019 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.212 6.294 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.686 7.816 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.345 6.092 -9.279 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.104 6.854 -8.687 1.00 0.00 H new ATOM 536 N GLY A 40 -8.199 8.093 -3.203 1.00 0.00 N ATOM 537 CA GLY A 40 -9.574 8.227 -2.752 1.00 0.00 C ATOM 538 C GLY A 40 -10.241 6.858 -2.613 1.00 0.00 C ATOM 539 O GLY A 40 -11.229 6.573 -3.288 1.00 0.00 O ATOM 0 H GLY A 40 -7.687 7.315 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.597 8.746 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.134 8.838 -3.459 1.00 0.00 H new ATOM 543 N PHE A 41 -9.675 6.046 -1.732 1.00 0.00 N ATOM 544 CA PHE A 41 -10.203 4.713 -1.495 1.00 0.00 C ATOM 545 C PHE A 41 -9.942 4.268 -0.054 1.00 0.00 C ATOM 546 O PHE A 41 -8.997 4.733 0.581 1.00 0.00 O ATOM 547 CB PHE A 41 -9.473 3.767 -2.449 1.00 0.00 C ATOM 548 CG PHE A 41 -9.454 4.241 -3.903 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.620 4.365 -4.593 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.272 4.539 -4.507 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.602 4.806 -5.943 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.255 4.980 -5.856 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.420 5.104 -6.546 1.00 0.00 C ATOM 0 H PHE A 41 -8.856 6.286 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.280 4.705 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.446 3.642 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.946 2.786 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.559 4.128 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.346 4.440 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.527 4.905 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.316 5.217 -6.335 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.407 5.439 -7.573 1.00 0.00 H new ATOM 563 N ALA A 42 -10.796 3.373 0.418 1.00 0.00 N ATOM 564 CA ALA A 42 -10.669 2.859 1.772 1.00 0.00 C ATOM 565 C ALA A 42 -9.410 1.996 1.870 1.00 0.00 C ATOM 566 O ALA A 42 -9.006 1.368 0.892 1.00 0.00 O ATOM 567 CB ALA A 42 -11.936 2.087 2.146 1.00 0.00 C ATOM 0 H ALA A 42 -11.579 2.990 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.563 3.677 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.841 1.702 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.797 2.752 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.073 1.256 1.454 1.00 0.00 H new ATOM 573 N GLU A 43 -8.825 1.993 3.058 1.00 0.00 N ATOM 574 CA GLU A 43 -7.619 1.217 3.296 1.00 0.00 C ATOM 575 C GLU A 43 -7.874 -0.263 3.003 1.00 0.00 C ATOM 576 O GLU A 43 -6.966 -0.983 2.589 1.00 0.00 O ATOM 577 CB GLU A 43 -7.115 1.413 4.727 1.00 0.00 C ATOM 578 CG GLU A 43 -5.598 1.229 4.804 1.00 0.00 C ATOM 579 CD GLU A 43 -5.223 0.205 5.877 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.231 0.597 7.063 1.00 0.00 O ATOM 581 OE2 GLU A 43 -4.936 -0.947 5.485 1.00 0.00 O ATOM 0 H GLU A 43 -9.163 2.515 3.866 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.842 1.573 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.382 2.410 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.606 0.700 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.218 0.902 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.123 2.185 5.027 1.00 0.00 H new ATOM 588 N ASP A 44 -9.114 -0.674 3.229 1.00 0.00 N ATOM 589 CA ASP A 44 -9.499 -2.055 2.994 1.00 0.00 C ATOM 590 C ASP A 44 -9.514 -2.327 1.488 1.00 0.00 C ATOM 591 O ASP A 44 -8.868 -3.261 1.017 1.00 0.00 O ATOM 592 CB ASP A 44 -10.901 -2.335 3.539 1.00 0.00 C ATOM 593 CG ASP A 44 -10.997 -2.422 5.063 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.997 -1.343 5.694 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.068 -3.565 5.563 1.00 0.00 O ATOM 0 H ASP A 44 -9.864 -0.074 3.572 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.779 -2.697 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.573 -1.550 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.259 -3.272 3.113 1.00 0.00 H new ATOM 600 N VAL A 45 -10.257 -1.493 0.776 1.00 0.00 N ATOM 601 CA VAL A 45 -10.364 -1.631 -0.666 1.00 0.00 C ATOM 602 C VAL A 45 -8.973 -1.511 -1.291 1.00 0.00 C ATOM 603 O VAL A 45 -8.672 -2.178 -2.279 1.00 0.00 O ATOM 604 CB VAL A 45 -11.358 -0.607 -1.218 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.076 -0.309 -2.692 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.799 -1.081 -1.021 1.00 0.00 C ATOM 0 H VAL A 45 -10.791 -0.719 1.171 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.753 -2.615 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.230 0.320 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.796 0.422 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.068 0.092 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.163 -1.228 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.485 -0.335 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.946 -2.027 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.994 -1.219 0.042 1.00 0.00 H new ATOM 616 N ALA A 46 -8.161 -0.654 -0.688 1.00 0.00 N ATOM 617 CA ALA A 46 -6.808 -0.437 -1.173 1.00 0.00 C ATOM 618 C ALA A 46 -6.042 -1.762 -1.144 1.00 0.00 C ATOM 619 O ALA A 46 -5.227 -2.030 -2.025 1.00 0.00 O ATOM 620 CB ALA A 46 -6.132 0.646 -0.330 1.00 0.00 C ATOM 0 H ALA A 46 -8.414 -0.102 0.132 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.821 -0.086 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.117 0.809 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.699 1.574 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.098 0.328 0.712 1.00 0.00 H new ATOM 626 N ARG A 47 -6.332 -2.554 -0.122 1.00 0.00 N ATOM 627 CA ARG A 47 -5.681 -3.843 0.033 1.00 0.00 C ATOM 628 C ARG A 47 -6.376 -4.897 -0.832 1.00 0.00 C ATOM 629 O ARG A 47 -5.762 -5.888 -1.223 1.00 0.00 O ATOM 630 CB ARG A 47 -5.701 -4.299 1.493 1.00 0.00 C ATOM 631 CG ARG A 47 -4.394 -3.934 2.200 1.00 0.00 C ATOM 632 CD ARG A 47 -4.581 -3.903 3.718 1.00 0.00 C ATOM 633 NE ARG A 47 -3.442 -4.575 4.382 1.00 0.00 N ATOM 634 CZ ARG A 47 -3.483 -5.069 5.627 1.00 0.00 C ATOM 635 NH1 ARG A 47 -4.607 -4.970 6.350 1.00 0.00 N ATOM 636 NH2 ARG A 47 -2.401 -5.662 6.149 1.00 0.00 N ATOM 0 H ARG A 47 -7.009 -2.328 0.607 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.645 -3.731 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.540 -3.835 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.854 -5.377 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.622 -4.658 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.048 -2.960 1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.656 -2.872 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.514 -4.398 3.988 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.571 -4.668 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.431 -4.519 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.639 -5.346 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.545 -5.738 5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.433 -6.038 7.097 1.00 0.00 H new ATOM 650 N LYS A 48 -7.648 -4.646 -1.106 1.00 0.00 N ATOM 651 CA LYS A 48 -8.433 -5.560 -1.918 1.00 0.00 C ATOM 652 C LYS A 48 -8.051 -5.386 -3.389 1.00 0.00 C ATOM 653 O LYS A 48 -7.929 -6.366 -4.122 1.00 0.00 O ATOM 654 CB LYS A 48 -9.927 -5.371 -1.644 1.00 0.00 C ATOM 655 CG LYS A 48 -10.268 -5.726 -0.195 1.00 0.00 C ATOM 656 CD LYS A 48 -11.616 -6.444 -0.109 1.00 0.00 C ATOM 657 CE LYS A 48 -12.769 -5.441 -0.046 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.894 -5.889 -0.897 1.00 0.00 N ATOM 0 H LYS A 48 -8.154 -3.823 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.211 -6.593 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.209 -4.338 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.507 -5.998 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.486 -6.362 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.296 -4.819 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.742 -7.094 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.636 -7.082 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.107 -5.331 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.424 -4.461 -0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.761 -5.386 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.678 -5.684 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.034 -6.912 -0.777 1.00 0.00 H new ATOM 672 N ALA A 49 -7.872 -4.132 -3.776 1.00 0.00 N ATOM 673 CA ALA A 49 -7.506 -3.817 -5.147 1.00 0.00 C ATOM 674 C ALA A 49 -6.085 -4.314 -5.418 1.00 0.00 C ATOM 675 O ALA A 49 -5.791 -4.803 -6.508 1.00 0.00 O ATOM 676 CB ALA A 49 -7.652 -2.312 -5.382 1.00 0.00 C ATOM 0 H ALA A 49 -7.973 -3.322 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.171 -4.322 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.377 -2.076 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.686 -2.015 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.997 -1.772 -4.698 1.00 0.00 H new ATOM 682 N LEU A 50 -5.240 -4.173 -4.407 1.00 0.00 N ATOM 683 CA LEU A 50 -3.856 -4.601 -4.522 1.00 0.00 C ATOM 684 C LEU A 50 -3.764 -6.099 -4.220 1.00 0.00 C ATOM 685 O LEU A 50 -2.683 -6.682 -4.279 1.00 0.00 O ATOM 686 CB LEU A 50 -2.953 -3.739 -3.639 1.00 0.00 C ATOM 687 CG LEU A 50 -2.902 -2.249 -3.983 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.369 -1.432 -2.805 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.094 -2.009 -5.260 1.00 0.00 C ATOM 0 H LEU A 50 -5.487 -3.768 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.496 -4.458 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.284 -3.842 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.940 -4.138 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.919 -1.908 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.343 -0.377 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.021 -1.569 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.362 -1.767 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.073 -0.942 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.075 -2.370 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.557 -2.543 -6.089 1.00 0.00 H new ATOM 701 N LYS A 51 -4.913 -6.678 -3.902 1.00 0.00 N ATOM 702 CA LYS A 51 -4.975 -8.095 -3.590 1.00 0.00 C ATOM 703 C LYS A 51 -5.155 -8.890 -4.885 1.00 0.00 C ATOM 704 O LYS A 51 -4.625 -9.992 -5.020 1.00 0.00 O ATOM 705 CB LYS A 51 -6.059 -8.367 -2.546 1.00 0.00 C ATOM 706 CG LYS A 51 -6.587 -9.799 -2.663 1.00 0.00 C ATOM 707 CD LYS A 51 -7.118 -10.299 -1.318 1.00 0.00 C ATOM 708 CE LYS A 51 -5.992 -10.899 -0.473 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.359 -10.889 0.961 1.00 0.00 N ATOM 0 H LYS A 51 -5.808 -6.191 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.040 -8.427 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.655 -8.205 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.880 -7.661 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.381 -9.838 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.791 -10.457 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.583 -9.475 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.892 -11.048 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.791 -11.921 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.074 -10.331 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.584 -11.299 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.528 -9.910 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.223 -11.450 1.102 1.00 0.00 H new ATOM 723 N ALA A 52 -5.905 -8.300 -5.805 1.00 0.00 N ATOM 724 CA ALA A 52 -6.161 -8.939 -7.084 1.00 0.00 C ATOM 725 C ALA A 52 -5.190 -8.387 -8.129 1.00 0.00 C ATOM 726 O ALA A 52 -4.694 -9.130 -8.975 1.00 0.00 O ATOM 727 CB ALA A 52 -7.624 -8.726 -7.478 1.00 0.00 C ATOM 0 H ALA A 52 -6.343 -7.386 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.995 -10.014 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.816 -9.206 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.273 -9.162 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.827 -7.658 -7.559 1.00 0.00 H new ATOM 733 N SER A 53 -4.947 -7.088 -8.037 1.00 0.00 N ATOM 734 CA SER A 53 -4.044 -6.428 -8.964 1.00 0.00 C ATOM 735 C SER A 53 -2.604 -6.871 -8.697 1.00 0.00 C ATOM 736 O SER A 53 -1.884 -7.245 -9.622 1.00 0.00 O ATOM 737 CB SER A 53 -4.160 -4.906 -8.857 1.00 0.00 C ATOM 738 OG SER A 53 -3.424 -4.392 -7.750 1.00 0.00 O ATOM 0 H SER A 53 -5.360 -6.475 -7.334 1.00 0.00 H new ATOM 0 HA SER A 53 -4.324 -6.716 -9.977 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.797 -4.449 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.209 -4.628 -8.755 1.00 0.00 H new ATOM 0 HG SER A 53 -2.680 -3.844 -8.078 1.00 0.00 H new ATOM 744 N GLY A 54 -2.227 -6.814 -7.428 1.00 0.00 N ATOM 745 CA GLY A 54 -0.886 -7.205 -7.028 1.00 0.00 C ATOM 746 C GLY A 54 0.103 -6.056 -7.230 1.00 0.00 C ATOM 747 O GLY A 54 0.754 -5.968 -8.270 1.00 0.00 O ATOM 0 H GLY A 54 -2.827 -6.503 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.889 -7.507 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.567 -8.070 -7.609 1.00 0.00 H new ATOM 751 N GLY A 55 0.185 -5.203 -6.220 1.00 0.00 N ATOM 752 CA GLY A 55 1.084 -4.063 -6.274 1.00 0.00 C ATOM 753 C GLY A 55 0.596 -3.027 -7.289 1.00 0.00 C ATOM 754 O GLY A 55 0.329 -1.881 -6.932 1.00 0.00 O ATOM 0 H GLY A 55 -0.357 -5.278 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.156 -3.605 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.086 -4.398 -6.544 1.00 0.00 H new ATOM 758 N ASP A 56 0.495 -3.468 -8.534 1.00 0.00 N ATOM 759 CA ASP A 56 0.044 -2.594 -9.603 1.00 0.00 C ATOM 760 C ASP A 56 -1.107 -1.724 -9.094 1.00 0.00 C ATOM 761 O ASP A 56 -2.123 -2.240 -8.632 1.00 0.00 O ATOM 762 CB ASP A 56 -0.468 -3.403 -10.797 1.00 0.00 C ATOM 763 CG ASP A 56 0.595 -4.231 -11.521 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.783 -4.054 -11.177 1.00 0.00 O ATOM 765 OD2 ASP A 56 0.195 -5.023 -12.402 1.00 0.00 O ATOM 0 H ASP A 56 0.718 -4.419 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 56 0.890 -1.982 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.256 -4.073 -10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.923 -2.718 -11.512 1.00 0.00 H new ATOM 770 N ILE A 57 -0.908 -0.418 -9.194 1.00 0.00 N ATOM 771 CA ILE A 57 -1.916 0.529 -8.749 1.00 0.00 C ATOM 772 C ILE A 57 -2.937 0.745 -9.869 1.00 0.00 C ATOM 773 O ILE A 57 -4.140 0.612 -9.650 1.00 0.00 O ATOM 774 CB ILE A 57 -1.259 1.821 -8.259 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.360 1.555 -7.050 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.309 2.894 -7.967 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.193 1.299 -5.793 1.00 0.00 C ATOM 0 H ILE A 57 -0.063 0.007 -9.577 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.460 0.131 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.622 2.203 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.278 0.694 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.298 2.408 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.815 3.802 -7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.870 3.111 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.991 2.535 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.529 1.113 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.812 2.171 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.832 0.430 -5.951 1.00 0.00 H new ATOM 789 N GLU A 58 -2.419 1.074 -11.043 1.00 0.00 N ATOM 790 CA GLU A 58 -3.270 1.309 -12.197 1.00 0.00 C ATOM 791 C GLU A 58 -4.397 0.275 -12.245 1.00 0.00 C ATOM 792 O GLU A 58 -5.539 0.611 -12.553 1.00 0.00 O ATOM 793 CB GLU A 58 -2.455 1.293 -13.491 1.00 0.00 C ATOM 794 CG GLU A 58 -1.965 2.698 -13.848 1.00 0.00 C ATOM 795 CD GLU A 58 -2.512 3.141 -15.207 1.00 0.00 C ATOM 796 OE1 GLU A 58 -3.754 3.240 -15.313 1.00 0.00 O ATOM 797 OE2 GLU A 58 -1.677 3.370 -16.108 1.00 0.00 O ATOM 0 H GLU A 58 -1.420 1.183 -11.220 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.716 2.299 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.602 0.624 -13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.065 0.899 -14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.279 3.403 -13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.875 2.713 -13.868 1.00 0.00 H new ATOM 804 N LYS A 59 -4.035 -0.961 -11.936 1.00 0.00 N ATOM 805 CA LYS A 59 -5.001 -2.047 -11.940 1.00 0.00 C ATOM 806 C LYS A 59 -5.865 -1.960 -10.680 1.00 0.00 C ATOM 807 O LYS A 59 -7.079 -2.145 -10.741 1.00 0.00 O ATOM 808 CB LYS A 59 -4.294 -3.393 -12.109 1.00 0.00 C ATOM 809 CG LYS A 59 -4.144 -3.751 -13.589 1.00 0.00 C ATOM 810 CD LYS A 59 -2.780 -4.388 -13.863 1.00 0.00 C ATOM 811 CE LYS A 59 -2.879 -5.440 -14.970 1.00 0.00 C ATOM 812 NZ LYS A 59 -1.532 -5.784 -15.479 1.00 0.00 N ATOM 0 H LYS A 59 -3.086 -1.235 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.672 -1.956 -12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.311 -3.353 -11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.860 -4.172 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.936 -4.439 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.259 -2.854 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.066 -3.617 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.400 -4.849 -12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.369 -6.335 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.497 -5.062 -15.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.617 -6.499 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.078 -4.931 -15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.954 -6.164 -14.702 1.00 0.00 H new ATOM 826 N ALA A 60 -5.204 -1.678 -9.566 1.00 0.00 N ATOM 827 CA ALA A 60 -5.896 -1.564 -8.294 1.00 0.00 C ATOM 828 C ALA A 60 -6.984 -0.493 -8.404 1.00 0.00 C ATOM 829 O ALA A 60 -8.100 -0.686 -7.924 1.00 0.00 O ATOM 830 CB ALA A 60 -4.885 -1.257 -7.188 1.00 0.00 C ATOM 0 H ALA A 60 -4.197 -1.525 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.384 -2.504 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.405 -1.171 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.152 -2.062 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.377 -0.319 -7.410 1.00 0.00 H new ATOM 836 N THR A 61 -6.619 0.611 -9.038 1.00 0.00 N ATOM 837 CA THR A 61 -7.550 1.713 -9.217 1.00 0.00 C ATOM 838 C THR A 61 -8.765 1.258 -10.028 1.00 0.00 C ATOM 839 O THR A 61 -9.876 1.737 -9.808 1.00 0.00 O ATOM 840 CB THR A 61 -6.790 2.874 -9.860 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.840 3.259 -8.870 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.663 4.117 -10.042 1.00 0.00 C ATOM 0 H THR A 61 -5.692 0.767 -9.434 1.00 0.00 H new ATOM 0 HA THR A 61 -7.947 2.055 -8.261 1.00 0.00 H new ATOM 0 HB THR A 61 -6.400 2.560 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.303 4.007 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.075 4.911 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.511 3.875 -10.683 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.027 4.452 -9.070 1.00 0.00 H new ATOM 850 N ASP A 62 -8.512 0.339 -10.948 1.00 0.00 N ATOM 851 CA ASP A 62 -9.572 -0.185 -11.792 1.00 0.00 C ATOM 852 C ASP A 62 -10.388 -1.210 -11.002 1.00 0.00 C ATOM 853 O ASP A 62 -11.618 -1.188 -11.036 1.00 0.00 O ATOM 854 CB ASP A 62 -8.997 -0.888 -13.024 1.00 0.00 C ATOM 855 CG ASP A 62 -10.007 -1.168 -14.139 1.00 0.00 C ATOM 856 OD1 ASP A 62 -11.066 -0.505 -14.124 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.696 -2.039 -14.980 1.00 0.00 O ATOM 0 H ASP A 62 -7.589 -0.056 -11.127 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.194 0.651 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.191 -0.276 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.553 -1.833 -12.711 1.00 0.00 H new ATOM 862 N TRP A 63 -9.672 -2.082 -10.309 1.00 0.00 N ATOM 863 CA TRP A 63 -10.315 -3.113 -9.511 1.00 0.00 C ATOM 864 C TRP A 63 -11.404 -2.447 -8.668 1.00 0.00 C ATOM 865 O TRP A 63 -12.538 -2.921 -8.625 1.00 0.00 O ATOM 866 CB TRP A 63 -9.289 -3.874 -8.669 1.00 0.00 C ATOM 867 CG TRP A 63 -9.866 -5.083 -7.929 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.885 -6.362 -8.328 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.510 -5.074 -6.638 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.492 -7.175 -7.392 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.884 -6.366 -6.332 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.768 -4.009 -5.758 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.538 -6.714 -5.144 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.422 -4.373 -4.575 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.805 -5.669 -4.251 1.00 0.00 C ATOM 0 H TRP A 63 -8.652 -2.096 -10.283 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.780 -3.863 -10.151 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.479 -4.210 -9.317 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.852 -3.190 -7.941 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.477 -6.713 -9.264 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.628 -8.183 -7.465 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.484 -2.990 -5.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.821 -7.734 -4.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.645 -3.591 -3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.306 -5.869 -3.315 1.00 0.00 H new ATOM 886 N VAL A 64 -11.022 -1.358 -8.017 1.00 0.00 N ATOM 887 CA VAL A 64 -11.951 -0.622 -7.178 1.00 0.00 C ATOM 888 C VAL A 64 -13.269 -0.429 -7.931 1.00 0.00 C ATOM 889 O VAL A 64 -14.345 -0.605 -7.361 1.00 0.00 O ATOM 890 CB VAL A 64 -11.320 0.698 -6.730 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.313 1.534 -5.920 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.036 0.450 -5.935 1.00 0.00 C ATOM 0 H VAL A 64 -10.080 -0.968 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.174 -1.184 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.057 1.264 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.839 2.467 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.187 1.755 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.621 0.977 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.608 1.404 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.265 -0.146 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.320 -0.086 -6.558 1.00 0.00 H new ATOM 902 N PHE A 65 -13.141 -0.070 -9.200 1.00 0.00 N ATOM 903 CA PHE A 65 -14.309 0.148 -10.037 1.00 0.00 C ATOM 904 C PHE A 65 -14.864 -1.178 -10.561 1.00 0.00 C ATOM 905 O PHE A 65 -16.032 -1.495 -10.343 1.00 0.00 O ATOM 906 CB PHE A 65 -13.855 1.002 -11.223 1.00 0.00 C ATOM 907 CG PHE A 65 -12.831 2.079 -10.859 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.886 2.687 -9.644 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.865 2.427 -11.751 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.935 3.686 -9.306 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.914 3.426 -11.413 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.969 4.035 -10.198 1.00 0.00 C ATOM 0 H PHE A 65 -12.247 0.075 -9.669 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.094 0.636 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.426 0.350 -11.984 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.727 1.480 -11.668 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.653 2.410 -8.936 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.821 1.944 -12.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.979 4.169 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.147 3.702 -12.121 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.246 4.795 -9.942 1.00 0.00 H new ATOM 922 N ASN A 66 -14.000 -1.916 -11.242 1.00 0.00 N ATOM 923 CA ASN A 66 -14.389 -3.200 -11.799 1.00 0.00 C ATOM 924 C ASN A 66 -15.254 -3.950 -10.784 1.00 0.00 C ATOM 925 O ASN A 66 -16.340 -4.423 -11.118 1.00 0.00 O ATOM 926 CB ASN A 66 -13.163 -4.063 -12.103 1.00 0.00 C ATOM 927 CG ASN A 66 -12.684 -3.848 -13.541 1.00 0.00 C ATOM 928 OD1 ASN A 66 -13.407 -4.058 -14.501 1.00 0.00 O ATOM 929 ND2 ASN A 66 -11.429 -3.419 -13.634 1.00 0.00 N ATOM 0 H ASN A 66 -13.032 -1.649 -11.421 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.938 -3.014 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.360 -3.818 -11.408 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.407 -5.114 -11.950 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.016 -3.245 -14.550 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.879 -3.264 -12.789 1.00 0.00 H new ATOM 936 N ASN A 67 -14.741 -4.036 -9.566 1.00 0.00 N ATOM 937 CA ASN A 67 -15.454 -4.720 -8.500 1.00 0.00 C ATOM 938 C ASN A 67 -16.579 -3.821 -7.985 1.00 0.00 C ATOM 939 O ASN A 67 -16.334 -2.689 -7.571 1.00 0.00 O ATOM 940 CB ASN A 67 -14.523 -5.031 -7.326 1.00 0.00 C ATOM 941 CG ASN A 67 -14.524 -6.528 -7.008 1.00 0.00 C ATOM 942 OD1 ASN A 67 -15.019 -6.971 -5.984 1.00 0.00 O ATOM 943 ND2 ASN A 67 -13.943 -7.279 -7.939 1.00 0.00 N ATOM 0 H ASN A 67 -13.840 -3.643 -9.293 1.00 0.00 H new ATOM 0 HA ASN A 67 -15.850 -5.652 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.510 -4.707 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.839 -4.469 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.892 -8.291 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.549 -6.843 -8.773 1.00 0.00 H new ATOM 950 N SER A 68 -17.789 -4.358 -8.028 1.00 0.00 N ATOM 951 CA SER A 68 -18.953 -3.618 -7.571 1.00 0.00 C ATOM 952 C SER A 68 -20.017 -4.586 -7.049 1.00 0.00 C ATOM 953 O SER A 68 -20.423 -5.508 -7.755 1.00 0.00 O ATOM 954 CB SER A 68 -19.529 -2.750 -8.691 1.00 0.00 C ATOM 955 OG SER A 68 -19.815 -3.510 -9.862 1.00 0.00 O ATOM 0 H SER A 68 -17.989 -5.297 -8.372 1.00 0.00 H new ATOM 0 HA SER A 68 -18.642 -2.958 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.441 -2.265 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.821 -1.958 -8.937 1.00 0.00 H new ATOM 0 HG SER A 68 -20.211 -4.369 -9.606 1.00 0.00 H new ATOM 961 N GLY A 69 -20.439 -4.343 -5.817 1.00 0.00 N ATOM 962 CA GLY A 69 -21.448 -5.182 -5.192 1.00 0.00 C ATOM 963 C GLY A 69 -22.758 -5.145 -5.983 1.00 0.00 C ATOM 964 O GLY A 69 -22.744 -5.041 -7.209 1.00 0.00 O ATOM 0 H GLY A 69 -20.101 -3.577 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.085 -6.208 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.626 -4.844 -4.171 1.00 0.00 H new ATOM 968 N PRO A 70 -23.887 -5.235 -5.230 1.00 0.00 N ATOM 969 CA PRO A 70 -25.202 -5.213 -5.847 1.00 0.00 C ATOM 970 C PRO A 70 -25.573 -3.798 -6.297 1.00 0.00 C ATOM 971 O PRO A 70 -26.156 -3.615 -7.365 1.00 0.00 O ATOM 972 CB PRO A 70 -26.142 -5.765 -4.789 1.00 0.00 C ATOM 973 CG PRO A 70 -25.402 -5.640 -3.467 1.00 0.00 C ATOM 974 CD PRO A 70 -23.941 -5.359 -3.776 1.00 0.00 C ATOM 0 HA PRO A 70 -25.250 -5.813 -6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -27.077 -5.206 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -26.397 -6.804 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -25.827 -4.836 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -25.500 -6.557 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.602 -4.445 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.299 -6.166 -3.423 1.00 0.00 H new ATOM 982 N SER A 71 -25.219 -2.834 -5.461 1.00 0.00 N ATOM 983 CA SER A 71 -25.507 -1.441 -5.759 1.00 0.00 C ATOM 984 C SER A 71 -24.355 -0.827 -6.556 1.00 0.00 C ATOM 985 O SER A 71 -23.514 -0.124 -5.998 1.00 0.00 O ATOM 986 CB SER A 71 -25.751 -0.642 -4.477 1.00 0.00 C ATOM 987 OG SER A 71 -26.917 0.171 -4.568 1.00 0.00 O ATOM 0 H SER A 71 -24.735 -2.990 -4.577 1.00 0.00 H new ATOM 0 HA SER A 71 -26.417 -1.401 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 71 -25.852 -1.328 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 71 -24.885 -0.012 -4.272 1.00 0.00 H new ATOM 0 HG SER A 71 -27.039 0.663 -3.729 1.00 0.00 H new ATOM 993 N SER A 72 -24.353 -1.115 -7.850 1.00 0.00 N ATOM 994 CA SER A 72 -23.317 -0.600 -8.729 1.00 0.00 C ATOM 995 C SER A 72 -23.004 0.855 -8.374 1.00 0.00 C ATOM 996 O SER A 72 -21.878 1.178 -7.999 1.00 0.00 O ATOM 997 CB SER A 72 -23.737 -0.709 -10.197 1.00 0.00 C ATOM 998 OG SER A 72 -24.965 -0.033 -10.453 1.00 0.00 O ATOM 0 H SER A 72 -25.052 -1.698 -8.310 1.00 0.00 H new ATOM 0 HA SER A 72 -22.419 -1.202 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.954 -0.291 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.838 -1.760 -10.468 1.00 0.00 H new ATOM 0 HG SER A 72 -25.197 -0.125 -11.401 1.00 0.00 H new ATOM 1004 N GLY A 73 -24.021 1.694 -8.503 1.00 0.00 N ATOM 1005 CA GLY A 73 -23.869 3.107 -8.200 1.00 0.00 C ATOM 1006 C GLY A 73 -25.197 3.850 -8.364 1.00 0.00 C ATOM 1007 O GLY A 73 -25.913 4.070 -7.389 1.00 0.00 O ATOM 0 H GLY A 73 -24.954 1.422 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.505 3.226 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.119 3.545 -8.859 1.00 0.00 H new TER 1011 GLY A 73