USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 CYS SG : rot -139:sc= 1.62 USER MOD Set 1.2: A 89 SER OG : rot 169:sc= -2.98! USER MOD Set 2.1: A 83 SER OG : rot 180:sc= -2.01! USER MOD Set 2.2: A 88 THR OG1 : rot -86:sc= -0.196 USER MOD Set 3.1: A 42 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 THR OG1 : rot -50:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0539 (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 8 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=-0.37) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.997) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -167:sc= 0 (180deg=-0.24) USER MOD Single : A 25 SER OG : rot 27:sc= 0.28 USER MOD Single : A 26 CYS SG : rot 15:sc= 0.546 USER MOD Single : A 27 SER OG : rot 45:sc= 0.00447 USER MOD Single : A 33 SER OG : rot 83:sc= 1.08 USER MOD Single : A 34 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.0095) USER MOD Single : A 36 SER OG : rot -149:sc= -0.962 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 17:sc= 0.528 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 47:sc= 0.409 USER MOD Single : A 54 SER OG : rot -56:sc= 1 USER MOD Single : A 57 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.9!) USER MOD Single : A 59 THR OG1 : rot -42:sc= -0.344 USER MOD Single : A 61 GLN : amide:sc= -3.46! C(o=-3.5!,f=-5.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 120:sc= 0.783 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 55:sc= 0.0348 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.036 46.055 -7.628 1.00 0.00 N ATOM 2 CA GLY A 1 0.124 44.949 -8.555 1.00 0.00 C ATOM 3 C GLY A 1 -1.030 43.968 -8.491 1.00 0.00 C ATOM 4 O GLY A 1 -1.740 43.898 -7.488 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.176 46.937 -8.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.862 45.882 -7.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.816 46.139 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.210 45.339 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.054 44.426 -8.335 1.00 0.00 H new ATOM 8 N SER A 2 -1.219 43.209 -9.566 1.00 0.00 N ATOM 9 CA SER A 2 -2.299 42.231 -9.631 1.00 0.00 C ATOM 10 C SER A 2 -1.975 41.008 -8.779 1.00 0.00 C ATOM 11 O SER A 2 -0.815 40.614 -8.654 1.00 0.00 O ATOM 12 CB SER A 2 -2.546 41.808 -11.080 1.00 0.00 C ATOM 13 OG SER A 2 -3.530 40.791 -11.153 1.00 0.00 O ATOM 0 H SER A 2 -0.638 43.253 -10.404 1.00 0.00 H new ATOM 0 HA SER A 2 -3.203 42.697 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.866 42.671 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.616 41.451 -11.522 1.00 0.00 H new ATOM 0 HG SER A 2 -3.671 40.539 -12.089 1.00 0.00 H new ATOM 19 N SER A 3 -3.009 40.410 -8.196 1.00 0.00 N ATOM 20 CA SER A 3 -2.835 39.233 -7.353 1.00 0.00 C ATOM 21 C SER A 3 -2.428 38.022 -8.187 1.00 0.00 C ATOM 22 O SER A 3 -2.832 37.885 -9.341 1.00 0.00 O ATOM 23 CB SER A 3 -4.127 38.930 -6.591 1.00 0.00 C ATOM 24 OG SER A 3 -4.312 39.840 -5.520 1.00 0.00 O ATOM 0 H SER A 3 -3.976 40.721 -8.292 1.00 0.00 H new ATOM 0 HA SER A 3 -2.040 39.444 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.976 38.987 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.095 37.911 -6.205 1.00 0.00 H new ATOM 0 HG SER A 3 -5.145 39.627 -5.050 1.00 0.00 H new ATOM 30 N GLY A 4 -1.624 37.145 -7.593 1.00 0.00 N ATOM 31 CA GLY A 4 -1.175 35.957 -8.295 1.00 0.00 C ATOM 32 C GLY A 4 -1.533 34.680 -7.561 1.00 0.00 C ATOM 33 O GLY A 4 -1.368 34.588 -6.345 1.00 0.00 O ATOM 0 H GLY A 4 -1.276 37.236 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.619 35.937 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.094 36.005 -8.429 1.00 0.00 H new ATOM 37 N SER A 5 -2.026 33.692 -8.302 1.00 0.00 N ATOM 38 CA SER A 5 -2.414 32.416 -7.713 1.00 0.00 C ATOM 39 C SER A 5 -1.757 31.254 -8.453 1.00 0.00 C ATOM 40 O SER A 5 -2.319 30.713 -9.405 1.00 0.00 O ATOM 41 CB SER A 5 -3.935 32.258 -7.742 1.00 0.00 C ATOM 42 OG SER A 5 -4.570 33.309 -7.035 1.00 0.00 O ATOM 0 H SER A 5 -2.166 33.751 -9.311 1.00 0.00 H new ATOM 0 HA SER A 5 -2.074 32.404 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.283 32.248 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.213 31.300 -7.303 1.00 0.00 H new ATOM 0 HG SER A 5 -5.542 33.186 -7.070 1.00 0.00 H new ATOM 48 N SER A 6 -0.562 30.877 -8.008 1.00 0.00 N ATOM 49 CA SER A 6 0.174 29.783 -8.629 1.00 0.00 C ATOM 50 C SER A 6 0.620 28.766 -7.583 1.00 0.00 C ATOM 51 O SER A 6 0.812 29.102 -6.416 1.00 0.00 O ATOM 52 CB SER A 6 1.391 30.323 -9.384 1.00 0.00 C ATOM 53 OG SER A 6 1.004 30.948 -10.595 1.00 0.00 O ATOM 0 H SER A 6 -0.084 31.313 -7.220 1.00 0.00 H new ATOM 0 HA SER A 6 -0.491 29.285 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.924 31.037 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.082 29.507 -9.597 1.00 0.00 H new ATOM 0 HG SER A 6 1.799 31.286 -11.057 1.00 0.00 H new ATOM 59 N GLY A 7 0.784 27.518 -8.013 1.00 0.00 N ATOM 60 CA GLY A 7 1.206 26.470 -7.102 1.00 0.00 C ATOM 61 C GLY A 7 0.290 25.262 -7.144 1.00 0.00 C ATOM 62 O GLY A 7 -0.914 25.379 -6.915 1.00 0.00 O ATOM 0 H GLY A 7 0.632 27.215 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.221 26.162 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.235 26.865 -6.087 1.00 0.00 H new ATOM 66 N HIS A 8 0.861 24.098 -7.438 1.00 0.00 N ATOM 67 CA HIS A 8 0.087 22.864 -7.511 1.00 0.00 C ATOM 68 C HIS A 8 0.834 21.714 -6.841 1.00 0.00 C ATOM 69 O HIS A 8 2.011 21.482 -7.117 1.00 0.00 O ATOM 70 CB HIS A 8 -0.216 22.512 -8.967 1.00 0.00 C ATOM 71 CG HIS A 8 0.972 22.629 -9.871 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.896 21.619 -10.035 1.00 0.00 N ATOM 73 CD2 HIS A 8 1.384 23.646 -10.664 1.00 0.00 C ATOM 74 CE1 HIS A 8 2.826 22.009 -10.889 1.00 0.00 C ATOM 75 NE2 HIS A 8 2.538 23.236 -11.286 1.00 0.00 N ATOM 0 H HIS A 8 1.856 23.984 -7.629 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.852 23.021 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.599 21.492 -9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.007 23.166 -9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.896 24.602 -10.785 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.676 21.425 -11.208 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.084 23.789 -11.947 1.00 0.00 H new ATOM 84 N VAL A 9 0.142 20.999 -5.960 1.00 0.00 N ATOM 85 CA VAL A 9 0.740 19.873 -5.252 1.00 0.00 C ATOM 86 C VAL A 9 -0.062 18.596 -5.473 1.00 0.00 C ATOM 87 O VAL A 9 -1.249 18.534 -5.155 1.00 0.00 O ATOM 88 CB VAL A 9 0.838 20.150 -3.740 1.00 0.00 C ATOM 89 CG1 VAL A 9 1.696 19.095 -3.058 1.00 0.00 C ATOM 90 CG2 VAL A 9 1.394 21.544 -3.489 1.00 0.00 C ATOM 0 H VAL A 9 -0.833 21.179 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 9 1.744 19.742 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.164 20.100 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.754 19.307 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.251 18.111 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.699 19.109 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.456 21.723 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.388 21.624 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.736 22.285 -3.943 1.00 0.00 H new ATOM 100 N GLY A 10 0.595 17.577 -6.019 1.00 0.00 N ATOM 101 CA GLY A 10 -0.073 16.314 -6.273 1.00 0.00 C ATOM 102 C GLY A 10 0.850 15.125 -6.097 1.00 0.00 C ATOM 103 O GLY A 10 1.919 15.243 -5.496 1.00 0.00 O ATOM 0 H GLY A 10 1.578 17.604 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.923 16.214 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.471 16.314 -7.288 1.00 0.00 H new ATOM 107 N ILE A 11 0.437 13.975 -6.619 1.00 0.00 N ATOM 108 CA ILE A 11 1.234 12.759 -6.516 1.00 0.00 C ATOM 109 C ILE A 11 1.927 12.442 -7.837 1.00 0.00 C ATOM 110 O ILE A 11 1.273 12.205 -8.853 1.00 0.00 O ATOM 111 CB ILE A 11 0.371 11.554 -6.099 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.398 11.869 -4.815 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.241 10.319 -5.914 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.664 11.058 -4.654 1.00 0.00 C ATOM 0 H ILE A 11 -0.445 13.860 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 11 1.987 12.939 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.351 11.351 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.251 11.687 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.651 12.929 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.617 9.475 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.747 10.086 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.983 10.510 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.157 11.334 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.333 11.258 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.416 9.997 -4.633 1.00 0.00 H new ATOM 126 N THR A 12 3.256 12.438 -7.816 1.00 0.00 N ATOM 127 CA THR A 12 4.039 12.150 -9.011 1.00 0.00 C ATOM 128 C THR A 12 4.247 10.649 -9.183 1.00 0.00 C ATOM 129 O THR A 12 4.391 10.156 -10.302 1.00 0.00 O ATOM 130 CB THR A 12 5.412 12.845 -8.965 1.00 0.00 C ATOM 131 OG1 THR A 12 6.277 12.288 -9.961 1.00 0.00 O ATOM 132 CG2 THR A 12 6.049 12.694 -7.592 1.00 0.00 C ATOM 0 H THR A 12 3.813 12.631 -6.984 1.00 0.00 H new ATOM 0 HA THR A 12 3.474 12.536 -9.859 1.00 0.00 H new ATOM 0 HB THR A 12 5.264 13.906 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.148 12.737 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.018 13.193 -7.584 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.402 13.145 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.184 11.636 -7.368 1.00 0.00 H new ATOM 140 N LYS A 13 4.260 9.927 -8.068 1.00 0.00 N ATOM 141 CA LYS A 13 4.448 8.481 -8.095 1.00 0.00 C ATOM 142 C LYS A 13 3.211 7.762 -7.568 1.00 0.00 C ATOM 143 O LYS A 13 3.236 7.175 -6.486 1.00 0.00 O ATOM 144 CB LYS A 13 5.672 8.090 -7.263 1.00 0.00 C ATOM 145 CG LYS A 13 6.027 6.617 -7.359 1.00 0.00 C ATOM 146 CD LYS A 13 7.441 6.351 -6.871 1.00 0.00 C ATOM 147 CE LYS A 13 8.044 5.128 -7.546 1.00 0.00 C ATOM 148 NZ LYS A 13 7.495 3.861 -6.989 1.00 0.00 N ATOM 0 H LYS A 13 4.143 10.319 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 13 4.608 8.179 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.527 8.683 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.487 8.343 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.321 6.033 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.929 6.285 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.065 7.222 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.433 6.204 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.846 5.170 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.127 5.141 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.930 3.051 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.706 3.809 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.465 3.837 -7.131 1.00 0.00 H new ATOM 162 N ARG A 14 2.130 7.810 -8.340 1.00 0.00 N ATOM 163 CA ARG A 14 0.884 7.162 -7.951 1.00 0.00 C ATOM 164 C ARG A 14 1.089 5.663 -7.752 1.00 0.00 C ATOM 165 O ARG A 14 1.930 5.048 -8.409 1.00 0.00 O ATOM 166 CB ARG A 14 -0.194 7.404 -9.010 1.00 0.00 C ATOM 167 CG ARG A 14 -0.443 8.875 -9.300 1.00 0.00 C ATOM 168 CD ARG A 14 -1.160 9.068 -10.627 1.00 0.00 C ATOM 169 NE ARG A 14 -2.606 8.903 -10.497 1.00 0.00 N ATOM 170 CZ ARG A 14 -3.461 9.114 -11.491 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.019 9.497 -12.681 1.00 0.00 N ATOM 172 NH2 ARG A 14 -4.763 8.943 -11.295 1.00 0.00 N ATOM 0 H ARG A 14 2.092 8.291 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 14 0.559 7.595 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.098 6.904 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.126 6.945 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.038 9.309 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.507 9.409 -9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.942 10.063 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.777 8.351 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.979 8.610 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.020 9.630 -12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.678 9.658 -13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.107 8.649 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.419 9.105 -12.059 1.00 0.00 H new ATOM 186 N LEU A 15 0.316 5.082 -6.842 1.00 0.00 N ATOM 187 CA LEU A 15 0.412 3.654 -6.555 1.00 0.00 C ATOM 188 C LEU A 15 0.399 2.838 -7.843 1.00 0.00 C ATOM 189 O LEU A 15 0.145 3.369 -8.925 1.00 0.00 O ATOM 190 CB LEU A 15 -0.740 3.217 -5.649 1.00 0.00 C ATOM 191 CG LEU A 15 -0.698 3.736 -4.212 1.00 0.00 C ATOM 192 CD1 LEU A 15 -2.086 3.699 -3.590 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.283 2.923 -3.379 1.00 0.00 C ATOM 0 H LEU A 15 -0.384 5.577 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 15 1.357 3.474 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.676 3.541 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.760 2.128 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.358 4.771 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.036 4.072 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.762 4.325 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.455 2.673 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.300 3.307 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.027 1.878 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.280 3.001 -3.812 1.00 0.00 H new ATOM 205 N LYS A 16 0.674 1.544 -7.721 1.00 0.00 N ATOM 206 CA LYS A 16 0.691 0.652 -8.874 1.00 0.00 C ATOM 207 C LYS A 16 0.073 -0.699 -8.526 1.00 0.00 C ATOM 208 O LYS A 16 0.312 -1.244 -7.448 1.00 0.00 O ATOM 209 CB LYS A 16 2.124 0.456 -9.372 1.00 0.00 C ATOM 210 CG LYS A 16 2.212 -0.276 -10.700 1.00 0.00 C ATOM 211 CD LYS A 16 2.307 -1.780 -10.502 1.00 0.00 C ATOM 212 CE LYS A 16 2.072 -2.530 -11.804 1.00 0.00 C ATOM 213 NZ LYS A 16 2.417 -3.973 -11.683 1.00 0.00 N ATOM 0 H LYS A 16 0.888 1.089 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 16 0.098 1.110 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.602 1.431 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.687 -0.100 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.335 -0.042 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.083 0.075 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.290 -2.035 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.574 -2.097 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.027 -2.430 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.670 -2.079 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.179 -4.462 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.435 -4.072 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.878 -4.394 -10.900 1.00 0.00 H new ATOM 227 N THR A 17 -0.722 -1.236 -9.447 1.00 0.00 N ATOM 228 CA THR A 17 -1.373 -2.523 -9.238 1.00 0.00 C ATOM 229 C THR A 17 -0.346 -3.636 -9.063 1.00 0.00 C ATOM 230 O THR A 17 0.400 -3.956 -9.988 1.00 0.00 O ATOM 231 CB THR A 17 -2.304 -2.878 -10.412 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.252 -1.826 -10.622 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.039 -4.183 -10.144 1.00 0.00 C ATOM 0 H THR A 17 -0.930 -0.799 -10.345 1.00 0.00 H new ATOM 0 HA THR A 17 -1.966 -2.434 -8.328 1.00 0.00 H new ATOM 0 HB THR A 17 -1.693 -3.000 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.839 -2.059 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.691 -4.413 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.316 -4.988 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.638 -4.084 -9.239 1.00 0.00 H new ATOM 241 N MET A 18 -0.315 -4.224 -7.872 1.00 0.00 N ATOM 242 CA MET A 18 0.619 -5.304 -7.577 1.00 0.00 C ATOM 243 C MET A 18 -0.070 -6.662 -7.676 1.00 0.00 C ATOM 244 O MET A 18 -1.270 -6.777 -7.429 1.00 0.00 O ATOM 245 CB MET A 18 1.217 -5.124 -6.180 1.00 0.00 C ATOM 246 CG MET A 18 2.355 -4.117 -6.132 1.00 0.00 C ATOM 247 SD MET A 18 3.952 -4.854 -6.528 1.00 0.00 S ATOM 248 CE MET A 18 4.317 -5.711 -4.998 1.00 0.00 C ATOM 0 H MET A 18 -0.926 -3.971 -7.095 1.00 0.00 H new ATOM 0 HA MET A 18 1.420 -5.268 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.431 -4.805 -5.495 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.580 -6.087 -5.822 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.149 -3.308 -6.833 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.401 -3.673 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.362 -6.021 -4.995 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.134 -5.045 -4.155 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.678 -6.589 -4.912 1.00 0.00 H new ATOM 258 N GLU A 19 0.697 -7.685 -8.039 1.00 0.00 N ATOM 259 CA GLU A 19 0.158 -9.033 -8.172 1.00 0.00 C ATOM 260 C GLU A 19 1.016 -10.039 -7.411 1.00 0.00 C ATOM 261 O GLU A 19 2.165 -10.293 -7.774 1.00 0.00 O ATOM 262 CB GLU A 19 0.074 -9.431 -9.647 1.00 0.00 C ATOM 263 CG GLU A 19 -1.242 -9.053 -10.305 1.00 0.00 C ATOM 264 CD GLU A 19 -1.104 -8.826 -11.798 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.430 -7.850 -12.189 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.668 -9.624 -12.575 1.00 0.00 O ATOM 0 H GLU A 19 1.693 -7.606 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.845 -9.039 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.891 -8.956 -10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.217 -10.508 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.973 -9.842 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.631 -8.148 -9.838 1.00 0.00 H new ATOM 273 N VAL A 20 0.451 -10.609 -6.351 1.00 0.00 N ATOM 274 CA VAL A 20 1.163 -11.588 -5.538 1.00 0.00 C ATOM 275 C VAL A 20 0.282 -12.794 -5.233 1.00 0.00 C ATOM 276 O VAL A 20 -0.907 -12.804 -5.552 1.00 0.00 O ATOM 277 CB VAL A 20 1.647 -10.970 -4.212 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.201 -9.573 -4.444 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.517 -10.943 -3.194 1.00 0.00 C ATOM 0 H VAL A 20 -0.498 -10.409 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 20 2.028 -11.912 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 20 2.450 -11.590 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.538 -9.153 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.041 -9.625 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.422 -8.938 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.876 -10.504 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.308 -10.346 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.172 -11.960 -3.006 1.00 0.00 H new ATOM 289 N LEU A 21 0.873 -13.809 -4.612 1.00 0.00 N ATOM 290 CA LEU A 21 0.142 -15.022 -4.262 1.00 0.00 C ATOM 291 C LEU A 21 -0.086 -15.105 -2.756 1.00 0.00 C ATOM 292 O LEU A 21 0.833 -14.884 -1.967 1.00 0.00 O ATOM 293 CB LEU A 21 0.904 -16.257 -4.743 1.00 0.00 C ATOM 294 CG LEU A 21 0.130 -17.576 -4.717 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.818 -17.661 -5.903 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.089 -18.757 -4.713 1.00 0.00 C ATOM 0 H LEU A 21 1.856 -13.816 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.829 -14.987 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.241 -16.077 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.797 -16.371 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.461 -17.611 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.360 -18.606 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.527 -16.834 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.247 -17.604 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.521 -19.687 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.707 -18.727 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.728 -18.704 -3.831 1.00 0.00 H new ATOM 308 N GLU A 22 -1.315 -15.428 -2.365 1.00 0.00 N ATOM 309 CA GLU A 22 -1.661 -15.541 -0.953 1.00 0.00 C ATOM 310 C GLU A 22 -0.522 -16.178 -0.163 1.00 0.00 C ATOM 311 O GLU A 22 -0.010 -17.235 -0.532 1.00 0.00 O ATOM 312 CB GLU A 22 -2.938 -16.367 -0.783 1.00 0.00 C ATOM 313 CG GLU A 22 -3.329 -16.593 0.667 1.00 0.00 C ATOM 314 CD GLU A 22 -4.595 -17.415 0.809 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.139 -17.850 -0.227 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.042 -17.624 1.957 1.00 0.00 O ATOM 0 H GLU A 22 -2.086 -15.616 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.832 -14.537 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.757 -15.864 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.803 -17.333 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.513 -17.097 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.470 -15.629 1.156 1.00 0.00 H new ATOM 323 N GLY A 23 -0.129 -15.527 0.928 1.00 0.00 N ATOM 324 CA GLY A 23 0.947 -16.043 1.753 1.00 0.00 C ATOM 325 C GLY A 23 2.224 -15.238 1.611 1.00 0.00 C ATOM 326 O GLY A 23 2.993 -15.110 2.563 1.00 0.00 O ATOM 0 H GLY A 23 -0.537 -14.651 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.634 -16.040 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.143 -17.080 1.482 1.00 0.00 H new ATOM 330 N GLU A 24 2.451 -14.696 0.419 1.00 0.00 N ATOM 331 CA GLU A 24 3.645 -13.902 0.156 1.00 0.00 C ATOM 332 C GLU A 24 3.544 -12.532 0.821 1.00 0.00 C ATOM 333 O GLU A 24 2.583 -12.245 1.534 1.00 0.00 O ATOM 334 CB GLU A 24 3.853 -13.736 -1.351 1.00 0.00 C ATOM 335 CG GLU A 24 4.083 -15.048 -2.082 1.00 0.00 C ATOM 336 CD GLU A 24 5.500 -15.564 -1.920 1.00 0.00 C ATOM 337 OE1 GLU A 24 6.365 -15.188 -2.739 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.744 -16.344 -0.977 1.00 0.00 O ATOM 0 H GLU A 24 1.824 -14.792 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 24 4.501 -14.429 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.981 -13.240 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.707 -13.080 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.383 -15.795 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.869 -14.912 -3.142 1.00 0.00 H new ATOM 345 N SER A 25 4.545 -11.690 0.582 1.00 0.00 N ATOM 346 CA SER A 25 4.572 -10.352 1.160 1.00 0.00 C ATOM 347 C SER A 25 4.751 -9.294 0.075 1.00 0.00 C ATOM 348 O SER A 25 5.663 -9.382 -0.748 1.00 0.00 O ATOM 349 CB SER A 25 5.700 -10.240 2.188 1.00 0.00 C ATOM 350 OG SER A 25 6.969 -10.340 1.565 1.00 0.00 O ATOM 0 H SER A 25 5.347 -11.911 -0.008 1.00 0.00 H new ATOM 0 HA SER A 25 3.618 -10.179 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.624 -9.289 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.595 -11.027 2.935 1.00 0.00 H new ATOM 0 HG SER A 25 6.901 -10.040 0.634 1.00 0.00 H new ATOM 356 N CYS A 26 3.875 -8.296 0.080 1.00 0.00 N ATOM 357 CA CYS A 26 3.934 -7.221 -0.904 1.00 0.00 C ATOM 358 C CYS A 26 4.055 -5.864 -0.219 1.00 0.00 C ATOM 359 O CYS A 26 3.357 -5.585 0.755 1.00 0.00 O ATOM 360 CB CYS A 26 2.692 -7.248 -1.795 1.00 0.00 C ATOM 361 SG CYS A 26 1.205 -6.586 -1.008 1.00 0.00 S ATOM 0 H CYS A 26 3.115 -8.209 0.755 1.00 0.00 H new ATOM 0 HA CYS A 26 4.818 -7.376 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.895 -6.677 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.501 -8.276 -2.102 1.00 0.00 H new ATOM 0 HG CYS A 26 1.538 -5.923 0.060 1.00 0.00 H new ATOM 367 N SER A 27 4.946 -5.024 -0.736 1.00 0.00 N ATOM 368 CA SER A 27 5.163 -3.697 -0.171 1.00 0.00 C ATOM 369 C SER A 27 4.928 -2.615 -1.221 1.00 0.00 C ATOM 370 O SER A 27 5.663 -2.517 -2.204 1.00 0.00 O ATOM 371 CB SER A 27 6.583 -3.582 0.387 1.00 0.00 C ATOM 372 OG SER A 27 7.518 -4.223 -0.462 1.00 0.00 O ATOM 0 H SER A 27 5.529 -5.239 -1.545 1.00 0.00 H new ATOM 0 HA SER A 27 4.449 -3.554 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.849 -2.531 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.624 -4.028 1.381 1.00 0.00 H new ATOM 0 HG SER A 27 7.334 -3.981 -1.394 1.00 0.00 H new ATOM 378 N PHE A 28 3.898 -1.803 -1.005 1.00 0.00 N ATOM 379 CA PHE A 28 3.565 -0.728 -1.932 1.00 0.00 C ATOM 380 C PHE A 28 4.476 0.477 -1.717 1.00 0.00 C ATOM 381 O PHE A 28 5.085 0.627 -0.658 1.00 0.00 O ATOM 382 CB PHE A 28 2.102 -0.313 -1.760 1.00 0.00 C ATOM 383 CG PHE A 28 1.128 -1.297 -2.340 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.837 -2.479 -1.677 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.501 -1.041 -3.549 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.058 -3.386 -2.209 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.396 -1.945 -4.087 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.677 -3.119 -3.415 1.00 0.00 C ATOM 0 H PHE A 28 3.280 -1.869 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 28 3.714 -1.097 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.891 -0.188 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.950 0.658 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.316 -2.693 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.716 -0.124 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.274 -4.304 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.876 -1.734 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.379 -3.826 -3.831 1.00 0.00 H new ATOM 398 N GLU A 29 4.563 1.333 -2.731 1.00 0.00 N ATOM 399 CA GLU A 29 5.401 2.524 -2.653 1.00 0.00 C ATOM 400 C GLU A 29 4.708 3.720 -3.301 1.00 0.00 C ATOM 401 O GLU A 29 4.365 3.686 -4.484 1.00 0.00 O ATOM 402 CB GLU A 29 6.749 2.272 -3.333 1.00 0.00 C ATOM 403 CG GLU A 29 7.520 1.105 -2.740 1.00 0.00 C ATOM 404 CD GLU A 29 8.441 0.444 -3.747 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.015 0.253 -4.905 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.588 0.116 -3.377 1.00 0.00 O ATOM 0 H GLU A 29 4.064 1.224 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 29 5.570 2.750 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.582 2.085 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.358 3.173 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.107 1.456 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.816 0.366 -2.357 1.00 0.00 H new ATOM 413 N CYS A 30 4.505 4.774 -2.519 1.00 0.00 N ATOM 414 CA CYS A 30 3.852 5.980 -3.015 1.00 0.00 C ATOM 415 C CYS A 30 4.636 7.226 -2.616 1.00 0.00 C ATOM 416 O CYS A 30 4.970 7.414 -1.447 1.00 0.00 O ATOM 417 CB CYS A 30 2.423 6.068 -2.479 1.00 0.00 C ATOM 418 SG CYS A 30 1.399 7.307 -3.307 1.00 0.00 S ATOM 0 H CYS A 30 4.783 4.818 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 30 3.821 5.926 -4.103 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.948 5.092 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.459 6.295 -1.414 1.00 0.00 H new ATOM 0 HG CYS A 30 0.674 7.930 -2.426 1.00 0.00 H new ATOM 424 N VAL A 31 4.928 8.074 -3.598 1.00 0.00 N ATOM 425 CA VAL A 31 5.673 9.302 -3.350 1.00 0.00 C ATOM 426 C VAL A 31 4.851 10.530 -3.727 1.00 0.00 C ATOM 427 O VAL A 31 3.819 10.419 -4.389 1.00 0.00 O ATOM 428 CB VAL A 31 6.998 9.324 -4.136 1.00 0.00 C ATOM 429 CG1 VAL A 31 7.895 10.448 -3.641 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.703 7.980 -4.027 1.00 0.00 C ATOM 0 H VAL A 31 4.660 7.933 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 31 5.892 9.328 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 31 6.774 9.508 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.826 10.447 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.389 11.404 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.114 10.300 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.637 8.013 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.916 7.765 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.062 7.199 -4.435 1.00 0.00 H new ATOM 440 N LEU A 32 5.316 11.699 -3.302 1.00 0.00 N ATOM 441 CA LEU A 32 4.624 12.950 -3.595 1.00 0.00 C ATOM 442 C LEU A 32 5.573 13.960 -4.233 1.00 0.00 C ATOM 443 O LEU A 32 6.791 13.856 -4.094 1.00 0.00 O ATOM 444 CB LEU A 32 4.022 13.535 -2.317 1.00 0.00 C ATOM 445 CG LEU A 32 3.242 12.559 -1.435 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.788 13.243 -0.155 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.049 11.994 -2.191 1.00 0.00 C ATOM 0 H LEU A 32 6.169 11.807 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 32 3.822 12.736 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.828 13.965 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.358 14.354 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 32 3.902 11.734 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.235 12.533 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.659 13.599 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.145 14.088 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.506 11.302 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.388 12.808 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.398 11.467 -3.079 1.00 0.00 H new ATOM 459 N SER A 33 5.005 14.939 -4.931 1.00 0.00 N ATOM 460 CA SER A 33 5.800 15.967 -5.591 1.00 0.00 C ATOM 461 C SER A 33 6.473 16.875 -4.566 1.00 0.00 C ATOM 462 O SER A 33 7.685 17.089 -4.610 1.00 0.00 O ATOM 463 CB SER A 33 4.920 16.799 -6.526 1.00 0.00 C ATOM 464 OG SER A 33 3.929 15.996 -7.143 1.00 0.00 O ATOM 0 H SER A 33 3.998 15.041 -5.054 1.00 0.00 H new ATOM 0 HA SER A 33 6.575 15.472 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.443 17.602 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.539 17.269 -7.290 1.00 0.00 H new ATOM 0 HG SER A 33 3.165 15.897 -6.537 1.00 0.00 H new ATOM 470 N HIS A 34 5.678 17.407 -3.643 1.00 0.00 N ATOM 471 CA HIS A 34 6.195 18.292 -2.606 1.00 0.00 C ATOM 472 C HIS A 34 6.536 17.507 -1.343 1.00 0.00 C ATOM 473 O HIS A 34 5.836 16.563 -0.981 1.00 0.00 O ATOM 474 CB HIS A 34 5.176 19.385 -2.282 1.00 0.00 C ATOM 475 CG HIS A 34 5.793 20.640 -1.746 1.00 0.00 C ATOM 476 ND1 HIS A 34 5.390 21.232 -0.568 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.790 21.414 -2.233 1.00 0.00 C ATOM 478 CE1 HIS A 34 6.111 22.318 -0.354 1.00 0.00 C ATOM 479 NE2 HIS A 34 6.969 22.451 -1.350 1.00 0.00 N ATOM 0 H HIS A 34 4.673 17.240 -3.592 1.00 0.00 H new ATOM 0 HA HIS A 34 7.107 18.757 -2.981 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.612 19.624 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.463 19.001 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.342 21.248 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.015 22.984 0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.653 23.201 -1.447 1.00 0.00 H new ATOM 488 N GLU A 35 7.616 17.906 -0.677 1.00 0.00 N ATOM 489 CA GLU A 35 8.049 17.238 0.544 1.00 0.00 C ATOM 490 C GLU A 35 7.007 17.393 1.648 1.00 0.00 C ATOM 491 O GLU A 35 7.039 18.355 2.416 1.00 0.00 O ATOM 492 CB GLU A 35 9.392 17.803 1.012 1.00 0.00 C ATOM 493 CG GLU A 35 10.233 16.806 1.791 1.00 0.00 C ATOM 494 CD GLU A 35 11.280 17.478 2.659 1.00 0.00 C ATOM 495 OE1 GLU A 35 11.762 18.563 2.273 1.00 0.00 O ATOM 496 OE2 GLU A 35 11.616 16.918 3.723 1.00 0.00 O ATOM 0 H GLU A 35 8.206 18.688 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 35 8.166 16.177 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.957 18.142 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.211 18.678 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.581 16.199 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.725 16.128 1.094 1.00 0.00 H new ATOM 503 N SER A 36 6.084 16.440 1.721 1.00 0.00 N ATOM 504 CA SER A 36 5.029 16.472 2.727 1.00 0.00 C ATOM 505 C SER A 36 5.304 15.460 3.836 1.00 0.00 C ATOM 506 O SER A 36 4.790 14.343 3.813 1.00 0.00 O ATOM 507 CB SER A 36 3.671 16.183 2.083 1.00 0.00 C ATOM 508 OG SER A 36 2.609 16.531 2.955 1.00 0.00 O ATOM 0 H SER A 36 6.045 15.636 1.095 1.00 0.00 H new ATOM 0 HA SER A 36 5.010 17.470 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.580 16.743 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.604 15.126 1.827 1.00 0.00 H new ATOM 0 HG SER A 36 1.846 15.938 2.794 1.00 0.00 H new ATOM 514 N ALA A 37 6.120 15.862 4.805 1.00 0.00 N ATOM 515 CA ALA A 37 6.463 14.992 5.923 1.00 0.00 C ATOM 516 C ALA A 37 5.731 15.415 7.192 1.00 0.00 C ATOM 517 O ALA A 37 5.362 14.578 8.016 1.00 0.00 O ATOM 518 CB ALA A 37 7.967 14.997 6.153 1.00 0.00 C ATOM 0 H ALA A 37 6.555 16.784 4.838 1.00 0.00 H new ATOM 0 HA ALA A 37 6.148 13.979 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.209 14.343 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.473 14.640 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.297 16.011 6.377 1.00 0.00 H new ATOM 524 N SER A 38 5.523 16.719 7.344 1.00 0.00 N ATOM 525 CA SER A 38 4.839 17.254 8.515 1.00 0.00 C ATOM 526 C SER A 38 3.470 16.602 8.688 1.00 0.00 C ATOM 527 O SER A 38 3.243 15.853 9.638 1.00 0.00 O ATOM 528 CB SER A 38 4.682 18.770 8.393 1.00 0.00 C ATOM 529 OG SER A 38 5.943 19.405 8.266 1.00 0.00 O ATOM 0 H SER A 38 5.819 17.425 6.670 1.00 0.00 H new ATOM 0 HA SER A 38 5.444 17.029 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.064 19.006 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.163 19.157 9.270 1.00 0.00 H new ATOM 0 HG SER A 38 5.815 20.373 8.188 1.00 0.00 H new ATOM 535 N ASP A 39 2.562 16.893 7.764 1.00 0.00 N ATOM 536 CA ASP A 39 1.215 16.336 7.812 1.00 0.00 C ATOM 537 C ASP A 39 1.260 14.815 7.928 1.00 0.00 C ATOM 538 O ASP A 39 2.084 14.145 7.305 1.00 0.00 O ATOM 539 CB ASP A 39 0.427 16.742 6.566 1.00 0.00 C ATOM 540 CG ASP A 39 0.401 18.243 6.361 1.00 0.00 C ATOM 541 OD1 ASP A 39 -0.471 18.909 6.957 1.00 0.00 O ATOM 542 OD2 ASP A 39 1.254 18.753 5.604 1.00 0.00 O ATOM 0 H ASP A 39 2.734 17.512 6.972 1.00 0.00 H new ATOM 0 HA ASP A 39 0.715 16.735 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.868 16.266 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.595 16.372 6.649 1.00 0.00 H new ATOM 547 N PRO A 40 0.355 14.257 8.745 1.00 0.00 N ATOM 548 CA PRO A 40 0.272 12.810 8.963 1.00 0.00 C ATOM 549 C PRO A 40 -0.237 12.067 7.732 1.00 0.00 C ATOM 550 O PRO A 40 -0.969 12.626 6.916 1.00 0.00 O ATOM 551 CB PRO A 40 -0.727 12.681 10.115 1.00 0.00 C ATOM 552 CG PRO A 40 -1.565 13.910 10.030 1.00 0.00 C ATOM 553 CD PRO A 40 -0.657 14.995 9.520 1.00 0.00 C ATOM 0 HA PRO A 40 1.248 12.374 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.333 11.781 10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.217 12.616 11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.410 13.760 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.975 14.171 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.196 15.711 8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.206 15.558 10.337 1.00 0.00 H new ATOM 561 N ALA A 41 0.156 10.804 7.604 1.00 0.00 N ATOM 562 CA ALA A 41 -0.262 9.984 6.474 1.00 0.00 C ATOM 563 C ALA A 41 -1.400 9.047 6.866 1.00 0.00 C ATOM 564 O ALA A 41 -1.548 8.692 8.035 1.00 0.00 O ATOM 565 CB ALA A 41 0.917 9.189 5.933 1.00 0.00 C ATOM 0 H ALA A 41 0.764 10.326 8.270 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.627 10.648 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.590 8.581 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.698 9.875 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.309 8.541 6.717 1.00 0.00 H new ATOM 571 N MET A 42 -2.200 8.650 5.882 1.00 0.00 N ATOM 572 CA MET A 42 -3.323 7.753 6.126 1.00 0.00 C ATOM 573 C MET A 42 -3.376 6.649 5.075 1.00 0.00 C ATOM 574 O MET A 42 -3.353 6.920 3.875 1.00 0.00 O ATOM 575 CB MET A 42 -4.638 8.536 6.126 1.00 0.00 C ATOM 576 CG MET A 42 -5.805 7.764 6.720 1.00 0.00 C ATOM 577 SD MET A 42 -5.852 7.854 8.521 1.00 0.00 S ATOM 578 CE MET A 42 -7.619 7.885 8.812 1.00 0.00 C ATOM 0 H MET A 42 -2.091 8.935 4.909 1.00 0.00 H new ATOM 0 HA MET A 42 -3.182 7.293 7.104 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.501 9.460 6.687 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.883 8.818 5.102 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.738 8.156 6.316 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.739 6.720 6.414 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.825 7.569 9.835 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.995 8.897 8.662 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.114 7.208 8.116 1.00 0.00 H new ATOM 588 N TRP A 43 -3.445 5.405 5.534 1.00 0.00 N ATOM 589 CA TRP A 43 -3.500 4.259 4.632 1.00 0.00 C ATOM 590 C TRP A 43 -4.801 3.485 4.814 1.00 0.00 C ATOM 591 O TRP A 43 -5.006 2.825 5.833 1.00 0.00 O ATOM 592 CB TRP A 43 -2.305 3.336 4.874 1.00 0.00 C ATOM 593 CG TRP A 43 -1.031 3.843 4.269 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.029 4.514 4.910 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.624 3.721 2.901 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.977 4.816 4.023 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.636 4.340 2.785 1.00 0.00 C ATOM 598 CE3 TRP A 43 -1.200 3.147 1.765 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.327 4.401 1.577 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.513 3.209 0.567 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.739 3.831 0.481 1.00 0.00 C ATOM 0 H TRP A 43 -3.464 5.163 6.525 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.461 4.632 3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.164 3.210 5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.527 2.351 4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.027 4.770 5.959 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.838 5.314 4.250 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.164 2.664 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.292 4.881 1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.949 2.770 -0.318 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.251 3.861 -0.470 1.00 0.00 H new ATOM 612 N THR A 44 -5.679 3.571 3.819 1.00 0.00 N ATOM 613 CA THR A 44 -6.961 2.879 3.871 1.00 0.00 C ATOM 614 C THR A 44 -7.066 1.833 2.766 1.00 0.00 C ATOM 615 O THR A 44 -7.135 2.169 1.584 1.00 0.00 O ATOM 616 CB THR A 44 -8.137 3.865 3.742 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.852 4.838 2.730 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.403 4.566 5.065 1.00 0.00 C ATOM 0 H THR A 44 -5.526 4.113 2.968 1.00 0.00 H new ATOM 0 HA THR A 44 -7.015 2.386 4.841 1.00 0.00 H new ATOM 0 HB THR A 44 -9.027 3.300 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.122 4.515 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.238 5.257 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.648 3.825 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.514 5.118 5.369 1.00 0.00 H new ATOM 626 N VAL A 45 -7.078 0.563 3.159 1.00 0.00 N ATOM 627 CA VAL A 45 -7.177 -0.532 2.202 1.00 0.00 C ATOM 628 C VAL A 45 -8.244 -1.536 2.623 1.00 0.00 C ATOM 629 O VAL A 45 -8.177 -2.110 3.709 1.00 0.00 O ATOM 630 CB VAL A 45 -5.831 -1.265 2.047 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.278 -1.660 3.408 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.989 -2.485 1.152 1.00 0.00 C ATOM 0 H VAL A 45 -7.020 0.267 4.134 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.455 -0.091 1.245 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.120 -0.587 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.327 -2.177 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.126 -0.766 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.985 -2.321 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.028 -2.991 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.715 -3.168 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.337 -2.172 0.168 1.00 0.00 H new ATOM 642 N GLY A 46 -9.230 -1.742 1.755 1.00 0.00 N ATOM 643 CA GLY A 46 -10.299 -2.677 2.055 1.00 0.00 C ATOM 644 C GLY A 46 -11.454 -2.022 2.785 1.00 0.00 C ATOM 645 O GLY A 46 -12.617 -2.315 2.510 1.00 0.00 O ATOM 0 H GLY A 46 -9.308 -1.278 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.663 -3.118 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.905 -3.492 2.662 1.00 0.00 H new ATOM 649 N GLY A 47 -11.134 -1.134 3.721 1.00 0.00 N ATOM 650 CA GLY A 47 -12.166 -0.451 4.480 1.00 0.00 C ATOM 651 C GLY A 47 -11.772 -0.232 5.927 1.00 0.00 C ATOM 652 O GLY A 47 -12.575 -0.444 6.836 1.00 0.00 O ATOM 0 H GLY A 47 -10.179 -0.875 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.378 0.512 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.087 -1.033 4.441 1.00 0.00 H new ATOM 656 N LYS A 48 -10.531 0.191 6.143 1.00 0.00 N ATOM 657 CA LYS A 48 -10.030 0.439 7.490 1.00 0.00 C ATOM 658 C LYS A 48 -8.641 1.067 7.447 1.00 0.00 C ATOM 659 O LYS A 48 -7.869 0.829 6.517 1.00 0.00 O ATOM 660 CB LYS A 48 -9.987 -0.866 8.289 1.00 0.00 C ATOM 661 CG LYS A 48 -8.845 -1.785 7.892 1.00 0.00 C ATOM 662 CD LYS A 48 -9.120 -3.223 8.296 1.00 0.00 C ATOM 663 CE LYS A 48 -7.995 -4.150 7.859 1.00 0.00 C ATOM 664 NZ LYS A 48 -8.426 -5.575 7.838 1.00 0.00 N ATOM 0 H LYS A 48 -9.853 0.369 5.402 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.709 1.136 7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.900 -0.630 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.931 -1.395 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.692 -1.732 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.922 -1.444 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.241 -3.281 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.059 -3.554 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.651 -3.860 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.148 -4.037 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.631 -6.174 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.731 -5.860 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.218 -5.688 7.173 1.00 0.00 H new ATOM 678 N THR A 49 -8.327 1.868 8.460 1.00 0.00 N ATOM 679 CA THR A 49 -7.031 2.530 8.538 1.00 0.00 C ATOM 680 C THR A 49 -5.954 1.573 9.038 1.00 0.00 C ATOM 681 O THR A 49 -6.077 0.994 10.117 1.00 0.00 O ATOM 682 CB THR A 49 -7.081 3.758 9.467 1.00 0.00 C ATOM 683 OG1 THR A 49 -7.927 4.765 8.902 1.00 0.00 O ATOM 684 CG2 THR A 49 -5.688 4.325 9.690 1.00 0.00 C ATOM 0 H THR A 49 -8.953 2.074 9.238 1.00 0.00 H new ATOM 0 HA THR A 49 -6.783 2.858 7.528 1.00 0.00 H new ATOM 0 HB THR A 49 -7.485 3.442 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.670 4.923 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.749 5.191 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.055 3.565 10.147 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.260 4.626 8.734 1.00 0.00 H new ATOM 692 N VAL A 50 -4.899 1.412 8.246 1.00 0.00 N ATOM 693 CA VAL A 50 -3.799 0.526 8.609 1.00 0.00 C ATOM 694 C VAL A 50 -2.575 1.321 9.048 1.00 0.00 C ATOM 695 O VAL A 50 -2.279 2.380 8.496 1.00 0.00 O ATOM 696 CB VAL A 50 -3.407 -0.393 7.436 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.627 -1.131 6.906 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.738 0.411 6.332 1.00 0.00 C ATOM 0 H VAL A 50 -4.783 1.883 7.349 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.148 -0.087 9.440 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.694 -1.133 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.331 -1.775 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.059 -1.738 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.366 -0.409 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.467 -0.253 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.427 1.174 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.840 0.889 6.723 1.00 0.00 H new ATOM 708 N GLY A 51 -1.865 0.802 10.046 1.00 0.00 N ATOM 709 CA GLY A 51 -0.680 1.477 10.543 1.00 0.00 C ATOM 710 C GLY A 51 -0.328 1.064 11.958 1.00 0.00 C ATOM 711 O GLY A 51 0.778 0.590 12.216 1.00 0.00 O ATOM 0 H GLY A 51 -2.089 -0.073 10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.161 1.260 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.839 2.555 10.511 1.00 0.00 H new ATOM 715 N SER A 52 -1.270 1.245 12.877 1.00 0.00 N ATOM 716 CA SER A 52 -1.052 0.893 14.275 1.00 0.00 C ATOM 717 C SER A 52 -0.500 -0.524 14.399 1.00 0.00 C ATOM 718 O SER A 52 -0.295 -1.211 13.399 1.00 0.00 O ATOM 719 CB SER A 52 -2.358 1.014 15.064 1.00 0.00 C ATOM 720 OG SER A 52 -3.250 -0.036 14.736 1.00 0.00 O ATOM 0 H SER A 52 -2.192 1.634 12.679 1.00 0.00 H new ATOM 0 HA SER A 52 -0.320 1.587 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.144 0.994 16.133 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.828 1.974 14.851 1.00 0.00 H new ATOM 0 HG SER A 52 -4.076 0.063 15.254 1.00 0.00 H new ATOM 726 N SER A 53 -0.261 -0.954 15.634 1.00 0.00 N ATOM 727 CA SER A 53 0.271 -2.287 15.890 1.00 0.00 C ATOM 728 C SER A 53 -0.561 -3.350 15.177 1.00 0.00 C ATOM 729 O SER A 53 -1.595 -3.786 15.682 1.00 0.00 O ATOM 730 CB SER A 53 0.299 -2.568 17.393 1.00 0.00 C ATOM 731 OG SER A 53 -0.966 -2.319 17.982 1.00 0.00 O ATOM 0 H SER A 53 -0.428 -0.398 16.473 1.00 0.00 H new ATOM 0 HA SER A 53 1.289 -2.326 15.502 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.587 -3.605 17.567 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.055 -1.943 17.869 1.00 0.00 H new ATOM 0 HG SER A 53 -1.668 -2.733 17.437 1.00 0.00 H new ATOM 737 N SER A 54 -0.100 -3.761 14.000 1.00 0.00 N ATOM 738 CA SER A 54 -0.802 -4.770 13.215 1.00 0.00 C ATOM 739 C SER A 54 0.076 -5.282 12.078 1.00 0.00 C ATOM 740 O SER A 54 1.183 -4.788 11.864 1.00 0.00 O ATOM 741 CB SER A 54 -2.102 -4.194 12.651 1.00 0.00 C ATOM 742 OG SER A 54 -1.861 -2.992 11.939 1.00 0.00 O ATOM 0 H SER A 54 0.756 -3.411 13.569 1.00 0.00 H new ATOM 0 HA SER A 54 -1.039 -5.606 13.873 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.570 -4.924 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.802 -4.004 13.464 1.00 0.00 H new ATOM 0 HG SER A 54 -1.407 -2.351 12.524 1.00 0.00 H new ATOM 748 N ARG A 55 -0.426 -6.275 11.352 1.00 0.00 N ATOM 749 CA ARG A 55 0.313 -6.856 10.237 1.00 0.00 C ATOM 750 C ARG A 55 0.797 -5.770 9.281 1.00 0.00 C ATOM 751 O ARG A 55 1.797 -5.942 8.584 1.00 0.00 O ATOM 752 CB ARG A 55 -0.563 -7.860 9.485 1.00 0.00 C ATOM 753 CG ARG A 55 -1.118 -8.966 10.368 1.00 0.00 C ATOM 754 CD ARG A 55 -1.542 -10.174 9.547 1.00 0.00 C ATOM 755 NE ARG A 55 -1.424 -11.417 10.303 1.00 0.00 N ATOM 756 CZ ARG A 55 -2.307 -11.808 11.216 1.00 0.00 C ATOM 757 NH1 ARG A 55 -3.366 -11.057 11.484 1.00 0.00 N ATOM 758 NH2 ARG A 55 -2.131 -12.954 11.863 1.00 0.00 N ATOM 0 H ARG A 55 -1.341 -6.694 11.516 1.00 0.00 H new ATOM 0 HA ARG A 55 1.183 -7.374 10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.392 -7.328 9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.021 -8.307 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.363 -9.266 11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.972 -8.590 10.931 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.574 -10.046 9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.927 -10.236 8.649 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.620 -12.018 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.505 -10.176 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.042 -11.360 12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.318 -13.535 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.809 -13.253 12.564 1.00 0.00 H new ATOM 772 N PHE A 56 0.080 -4.651 9.253 1.00 0.00 N ATOM 773 CA PHE A 56 0.435 -3.537 8.382 1.00 0.00 C ATOM 774 C PHE A 56 1.425 -2.602 9.070 1.00 0.00 C ATOM 775 O PHE A 56 1.276 -2.283 10.249 1.00 0.00 O ATOM 776 CB PHE A 56 -0.819 -2.760 7.975 1.00 0.00 C ATOM 777 CG PHE A 56 -1.757 -3.549 7.107 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.597 -4.502 7.659 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.799 -3.337 5.738 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.462 -5.229 6.863 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.662 -4.061 4.937 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.494 -5.009 5.500 1.00 0.00 C ATOM 0 H PHE A 56 -0.750 -4.492 9.824 1.00 0.00 H new ATOM 0 HA PHE A 56 0.908 -3.944 7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.348 -2.443 8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.520 -1.855 7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.576 -4.679 8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.150 -2.598 5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.112 -5.968 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.686 -3.886 3.872 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.168 -5.577 4.876 1.00 0.00 H new ATOM 792 N GLN A 57 2.436 -2.168 8.324 1.00 0.00 N ATOM 793 CA GLN A 57 3.452 -1.271 8.863 1.00 0.00 C ATOM 794 C GLN A 57 3.722 -0.117 7.904 1.00 0.00 C ATOM 795 O GLN A 57 4.553 -0.227 7.003 1.00 0.00 O ATOM 796 CB GLN A 57 4.747 -2.038 9.135 1.00 0.00 C ATOM 797 CG GLN A 57 5.808 -1.209 9.841 1.00 0.00 C ATOM 798 CD GLN A 57 7.217 -1.666 9.518 1.00 0.00 C ATOM 799 OE1 GLN A 57 7.489 -2.146 8.417 1.00 0.00 O ATOM 800 NE2 GLN A 57 8.122 -1.520 10.478 1.00 0.00 N ATOM 0 H GLN A 57 2.573 -2.423 7.346 1.00 0.00 H new ATOM 0 HA GLN A 57 3.078 -0.860 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.520 -2.915 9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.150 -2.400 8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.695 -0.163 9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.650 -1.265 10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.853 -1.117 11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.087 -1.810 10.318 1.00 0.00 H new ATOM 809 N ALA A 58 3.015 0.991 8.104 1.00 0.00 N ATOM 810 CA ALA A 58 3.180 2.166 7.257 1.00 0.00 C ATOM 811 C ALA A 58 4.432 2.948 7.642 1.00 0.00 C ATOM 812 O ALA A 58 4.370 3.891 8.432 1.00 0.00 O ATOM 813 CB ALA A 58 1.951 3.057 7.346 1.00 0.00 C ATOM 0 H ALA A 58 2.323 1.099 8.845 1.00 0.00 H new ATOM 0 HA ALA A 58 3.296 1.828 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.088 3.931 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.074 2.501 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.809 3.379 8.378 1.00 0.00 H new ATOM 819 N THR A 59 5.569 2.550 7.079 1.00 0.00 N ATOM 820 CA THR A 59 6.836 3.212 7.365 1.00 0.00 C ATOM 821 C THR A 59 7.067 4.387 6.422 1.00 0.00 C ATOM 822 O THR A 59 6.380 4.527 5.410 1.00 0.00 O ATOM 823 CB THR A 59 8.020 2.234 7.248 1.00 0.00 C ATOM 824 OG1 THR A 59 8.209 1.856 5.880 1.00 0.00 O ATOM 825 CG2 THR A 59 7.782 0.993 8.095 1.00 0.00 C ATOM 0 H THR A 59 5.638 1.773 6.422 1.00 0.00 H new ATOM 0 HA THR A 59 6.777 3.578 8.390 1.00 0.00 H new ATOM 0 HB THR A 59 8.916 2.736 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.338 1.685 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.631 0.317 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.668 1.282 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.876 0.490 7.756 1.00 0.00 H new ATOM 833 N ARG A 60 8.038 5.229 6.760 1.00 0.00 N ATOM 834 CA ARG A 60 8.359 6.393 5.942 1.00 0.00 C ATOM 835 C ARG A 60 9.868 6.537 5.771 1.00 0.00 C ATOM 836 O ARG A 60 10.607 6.635 6.750 1.00 0.00 O ATOM 837 CB ARG A 60 7.783 7.661 6.575 1.00 0.00 C ATOM 838 CG ARG A 60 7.616 8.810 5.593 1.00 0.00 C ATOM 839 CD ARG A 60 7.379 10.128 6.313 1.00 0.00 C ATOM 840 NE ARG A 60 8.519 10.512 7.142 1.00 0.00 N ATOM 841 CZ ARG A 60 8.527 11.581 7.930 1.00 0.00 C ATOM 842 NH1 ARG A 60 7.462 12.368 7.996 1.00 0.00 N ATOM 843 NH2 ARG A 60 9.602 11.865 8.654 1.00 0.00 N ATOM 0 H ARG A 60 8.616 5.127 7.594 1.00 0.00 H new ATOM 0 HA ARG A 60 7.911 6.250 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.814 7.428 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.436 7.980 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.507 8.890 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.778 8.602 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.183 10.911 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.489 10.045 6.937 1.00 0.00 H new ATOM 0 HE ARG A 60 9.354 9.927 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.634 12.153 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.471 13.188 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.423 11.262 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.607 12.686 9.259 1.00 0.00 H new ATOM 857 N GLN A 61 10.318 6.548 4.520 1.00 0.00 N ATOM 858 CA GLN A 61 11.739 6.679 4.221 1.00 0.00 C ATOM 859 C GLN A 61 11.956 7.521 2.968 1.00 0.00 C ATOM 860 O GLN A 61 11.657 7.086 1.857 1.00 0.00 O ATOM 861 CB GLN A 61 12.373 5.299 4.039 1.00 0.00 C ATOM 862 CG GLN A 61 13.854 5.259 4.380 1.00 0.00 C ATOM 863 CD GLN A 61 14.572 6.542 4.011 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.482 7.013 2.877 1.00 0.00 O ATOM 865 NE2 GLN A 61 15.290 7.116 4.969 1.00 0.00 N ATOM 0 H GLN A 61 9.719 6.468 3.698 1.00 0.00 H new ATOM 0 HA GLN A 61 12.217 7.182 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.845 4.580 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.238 4.980 3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.972 5.075 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.321 4.423 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.337 6.691 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.795 7.982 4.779 1.00 0.00 H new ATOM 874 N GLY A 62 12.480 8.729 3.155 1.00 0.00 N ATOM 875 CA GLY A 62 12.728 9.612 2.031 1.00 0.00 C ATOM 876 C GLY A 62 11.447 10.098 1.382 1.00 0.00 C ATOM 877 O GLY A 62 11.048 9.597 0.331 1.00 0.00 O ATOM 0 H GLY A 62 12.737 9.111 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.309 10.470 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.332 9.090 1.289 1.00 0.00 H new ATOM 881 N ARG A 63 10.800 11.075 2.010 1.00 0.00 N ATOM 882 CA ARG A 63 9.556 11.626 1.488 1.00 0.00 C ATOM 883 C ARG A 63 8.741 10.549 0.777 1.00 0.00 C ATOM 884 O ARG A 63 8.091 10.814 -0.235 1.00 0.00 O ATOM 885 CB ARG A 63 9.847 12.778 0.526 1.00 0.00 C ATOM 886 CG ARG A 63 10.566 12.347 -0.742 1.00 0.00 C ATOM 887 CD ARG A 63 12.076 12.439 -0.585 1.00 0.00 C ATOM 888 NE ARG A 63 12.741 12.736 -1.852 1.00 0.00 N ATOM 889 CZ ARG A 63 13.003 11.819 -2.776 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.659 10.554 -2.577 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.611 12.167 -3.903 1.00 0.00 N ATOM 0 H ARG A 63 11.117 11.501 2.881 1.00 0.00 H new ATOM 0 HA ARG A 63 8.974 12.003 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.908 13.260 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.452 13.525 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.287 11.323 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.247 12.975 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.318 13.214 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.457 11.498 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 63 13.019 13.700 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.192 10.283 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.862 9.852 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.877 13.139 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.812 11.462 -4.613 1.00 0.00 H new ATOM 905 N LYS A 64 8.779 9.334 1.313 1.00 0.00 N ATOM 906 CA LYS A 64 8.044 8.217 0.732 1.00 0.00 C ATOM 907 C LYS A 64 7.367 7.388 1.818 1.00 0.00 C ATOM 908 O LYS A 64 7.880 7.267 2.931 1.00 0.00 O ATOM 909 CB LYS A 64 8.986 7.332 -0.088 1.00 0.00 C ATOM 910 CG LYS A 64 8.308 6.108 -0.680 1.00 0.00 C ATOM 911 CD LYS A 64 9.312 5.011 -0.992 1.00 0.00 C ATOM 912 CE LYS A 64 10.267 5.428 -2.100 1.00 0.00 C ATOM 913 NZ LYS A 64 11.024 4.267 -2.645 1.00 0.00 N ATOM 0 H LYS A 64 9.312 9.098 2.150 1.00 0.00 H new ATOM 0 HA LYS A 64 7.274 8.623 0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.417 7.924 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.812 7.009 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.561 5.731 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.779 6.389 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.879 4.769 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.783 4.105 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.705 5.905 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.967 6.170 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.664 4.592 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.580 3.827 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.358 3.570 -3.034 1.00 0.00 H new ATOM 927 N TYR A 65 6.214 6.817 1.487 1.00 0.00 N ATOM 928 CA TYR A 65 5.466 6.000 2.435 1.00 0.00 C ATOM 929 C TYR A 65 5.443 4.539 1.995 1.00 0.00 C ATOM 930 O TYR A 65 4.727 4.172 1.063 1.00 0.00 O ATOM 931 CB TYR A 65 4.036 6.524 2.576 1.00 0.00 C ATOM 932 CG TYR A 65 3.961 7.969 3.017 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.218 8.327 4.335 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.635 8.975 2.116 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.150 9.646 4.742 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.566 10.296 2.514 1.00 0.00 C ATOM 937 CZ TYR A 65 3.824 10.626 3.829 1.00 0.00 C ATOM 938 OH TYR A 65 3.757 11.941 4.230 1.00 0.00 O ATOM 0 H TYR A 65 5.777 6.905 0.569 1.00 0.00 H new ATOM 0 HA TYR A 65 5.965 6.062 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.523 6.418 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.500 5.905 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.475 7.562 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.432 8.720 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.351 9.908 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.312 11.066 1.800 1.00 0.00 H new ATOM 0 HH TYR A 65 4.405 12.472 3.721 1.00 0.00 H new ATOM 948 N ILE A 66 6.230 3.712 2.673 1.00 0.00 N ATOM 949 CA ILE A 66 6.300 2.291 2.355 1.00 0.00 C ATOM 950 C ILE A 66 5.361 1.482 3.243 1.00 0.00 C ATOM 951 O ILE A 66 5.516 1.452 4.465 1.00 0.00 O ATOM 952 CB ILE A 66 7.732 1.748 2.512 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.735 2.692 1.845 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.837 0.351 1.919 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.259 3.768 2.770 1.00 0.00 C ATOM 0 H ILE A 66 6.829 4.001 3.447 1.00 0.00 H new ATOM 0 HA ILE A 66 5.993 2.186 1.314 1.00 0.00 H new ATOM 0 HB ILE A 66 7.968 1.689 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.575 2.109 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.261 3.163 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.855 -0.019 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.146 -0.316 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.585 0.386 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.965 4.400 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.428 4.376 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.762 3.305 3.619 1.00 0.00 H new ATOM 967 N LEU A 67 4.387 0.825 2.622 1.00 0.00 N ATOM 968 CA LEU A 67 3.423 0.013 3.356 1.00 0.00 C ATOM 969 C LEU A 67 3.751 -1.471 3.226 1.00 0.00 C ATOM 970 O LEU A 67 3.557 -2.070 2.168 1.00 0.00 O ATOM 971 CB LEU A 67 2.006 0.281 2.844 1.00 0.00 C ATOM 972 CG LEU A 67 0.891 -0.538 3.496 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.470 0.091 4.815 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.300 -0.660 2.557 1.00 0.00 C ATOM 0 H LEU A 67 4.244 0.839 1.612 1.00 0.00 H new ATOM 0 HA LEU A 67 3.480 0.288 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.784 1.339 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.987 0.093 1.770 1.00 0.00 H new ATOM 0 HG LEU A 67 1.272 -1.539 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.324 -0.505 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.325 0.126 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.107 1.103 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.084 -1.246 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.682 0.334 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.011 -1.155 1.637 1.00 0.00 H new ATOM 986 N VAL A 68 4.246 -2.059 4.310 1.00 0.00 N ATOM 987 CA VAL A 68 4.598 -3.474 4.319 1.00 0.00 C ATOM 988 C VAL A 68 3.399 -4.336 4.701 1.00 0.00 C ATOM 989 O VAL A 68 2.750 -4.099 5.720 1.00 0.00 O ATOM 990 CB VAL A 68 5.754 -3.759 5.296 1.00 0.00 C ATOM 991 CG1 VAL A 68 6.106 -5.239 5.289 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.967 -2.912 4.947 1.00 0.00 C ATOM 0 H VAL A 68 4.412 -1.577 5.194 1.00 0.00 H new ATOM 0 HA VAL A 68 4.917 -3.727 3.308 1.00 0.00 H new ATOM 0 HB VAL A 68 5.431 -3.492 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.925 -5.422 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.236 -5.821 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.410 -5.536 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.774 -3.126 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.294 -3.145 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.704 -1.856 5.009 1.00 0.00 H new ATOM 1002 N VAL A 69 3.111 -5.338 3.877 1.00 0.00 N ATOM 1003 CA VAL A 69 1.991 -6.237 4.129 1.00 0.00 C ATOM 1004 C VAL A 69 2.480 -7.628 4.517 1.00 0.00 C ATOM 1005 O VAL A 69 3.314 -8.218 3.830 1.00 0.00 O ATOM 1006 CB VAL A 69 1.075 -6.353 2.896 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.037 -7.358 3.150 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.503 -4.992 2.530 1.00 0.00 C ATOM 0 H VAL A 69 3.638 -5.548 3.029 1.00 0.00 H new ATOM 0 HA VAL A 69 1.423 -5.810 4.956 1.00 0.00 H new ATOM 0 HB VAL A 69 1.669 -6.711 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.674 -7.427 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.397 -8.335 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.633 -7.034 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.142 -5.091 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.077 -4.604 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.317 -4.304 2.303 1.00 0.00 H new ATOM 1018 N ARG A 70 1.955 -8.147 5.623 1.00 0.00 N ATOM 1019 CA ARG A 70 2.338 -9.469 6.103 1.00 0.00 C ATOM 1020 C ARG A 70 1.167 -10.442 6.010 1.00 0.00 C ATOM 1021 O ARG A 70 0.023 -10.079 6.283 1.00 0.00 O ATOM 1022 CB ARG A 70 2.833 -9.386 7.548 1.00 0.00 C ATOM 1023 CG ARG A 70 4.191 -8.719 7.690 1.00 0.00 C ATOM 1024 CD ARG A 70 4.453 -8.289 9.125 1.00 0.00 C ATOM 1025 NE ARG A 70 5.105 -9.340 9.901 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.413 -9.569 9.876 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.205 -8.824 9.117 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.931 -10.544 10.611 1.00 0.00 N ATOM 0 H ARG A 70 1.263 -7.672 6.203 1.00 0.00 H new ATOM 0 HA ARG A 70 3.145 -9.838 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.103 -8.835 8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.887 -10.393 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.972 -9.408 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.241 -7.850 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.078 -7.396 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.510 -8.019 9.601 1.00 0.00 H new ATOM 0 HE ARG A 70 4.524 -9.931 10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.810 -8.073 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.209 -9.002 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.325 -11.119 11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.936 -10.719 10.591 1.00 0.00 H new ATOM 1042 N GLU A 71 1.461 -11.679 5.622 1.00 0.00 N ATOM 1043 CA GLU A 71 0.431 -12.703 5.492 1.00 0.00 C ATOM 1044 C GLU A 71 -0.680 -12.241 4.553 1.00 0.00 C ATOM 1045 O GLU A 71 -1.864 -12.400 4.850 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.155 -13.046 6.863 1.00 0.00 C ATOM 1047 CG GLU A 71 0.628 -14.113 7.610 1.00 0.00 C ATOM 1048 CD GLU A 71 1.914 -13.579 8.211 1.00 0.00 C ATOM 1049 OE1 GLU A 71 1.836 -12.773 9.162 1.00 0.00 O ATOM 1050 OE2 GLU A 71 2.999 -13.968 7.731 1.00 0.00 O ATOM 0 H GLU A 71 2.403 -11.996 5.392 1.00 0.00 H new ATOM 0 HA GLU A 71 0.893 -13.595 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.191 -12.141 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.183 -13.385 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.005 -14.527 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.862 -14.931 6.928 1.00 0.00 H new ATOM 1057 N ALA A 72 -0.289 -11.668 3.420 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.250 -11.185 2.437 1.00 0.00 C ATOM 1059 C ALA A 72 -2.354 -12.210 2.197 1.00 0.00 C ATOM 1060 O ALA A 72 -2.082 -13.357 1.845 1.00 0.00 O ATOM 1061 CB ALA A 72 -0.546 -10.849 1.130 1.00 0.00 C ATOM 0 H ALA A 72 0.687 -11.527 3.160 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.711 -10.280 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.276 -10.490 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.200 -10.075 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.057 -11.742 0.740 1.00 0.00 H new ATOM 1067 N ALA A 73 -3.599 -11.788 2.392 1.00 0.00 N ATOM 1068 CA ALA A 73 -4.743 -12.670 2.196 1.00 0.00 C ATOM 1069 C ALA A 73 -5.611 -12.193 1.036 1.00 0.00 C ATOM 1070 O ALA A 73 -5.593 -11.022 0.656 1.00 0.00 O ATOM 1071 CB ALA A 73 -5.566 -12.758 3.472 1.00 0.00 C ATOM 0 H ALA A 73 -3.841 -10.842 2.685 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.367 -13.663 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.417 -13.420 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.947 -13.152 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.925 -11.765 3.743 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.389 -13.120 0.458 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.279 -12.817 -0.667 1.00 0.00 C ATOM 1079 C PRO A 74 -8.458 -11.943 -0.255 1.00 0.00 C ATOM 1080 O PRO A 74 -9.246 -11.511 -1.096 1.00 0.00 O ATOM 1081 CB PRO A 74 -7.767 -14.197 -1.115 1.00 0.00 C ATOM 1082 CG PRO A 74 -7.652 -15.052 0.100 1.00 0.00 C ATOM 1083 CD PRO A 74 -6.461 -14.535 0.859 1.00 0.00 C ATOM 0 HA PRO A 74 -6.769 -12.255 -1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.795 -14.156 -1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.159 -14.586 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.556 -14.993 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.518 -16.099 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.594 -14.641 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.551 -15.074 0.595 1.00 0.00 H new ATOM 1091 N SER A 75 -8.572 -11.685 1.044 1.00 0.00 N ATOM 1092 CA SER A 75 -9.658 -10.864 1.568 1.00 0.00 C ATOM 1093 C SER A 75 -9.285 -9.385 1.535 1.00 0.00 C ATOM 1094 O SER A 75 -10.153 -8.517 1.435 1.00 0.00 O ATOM 1095 CB SER A 75 -9.998 -11.284 2.999 1.00 0.00 C ATOM 1096 OG SER A 75 -11.322 -10.911 3.339 1.00 0.00 O ATOM 0 H SER A 75 -7.926 -12.032 1.753 1.00 0.00 H new ATOM 0 HA SER A 75 -10.533 -11.015 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.883 -12.363 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.297 -10.821 3.693 1.00 0.00 H new ATOM 0 HG SER A 75 -11.515 -11.192 4.258 1.00 0.00 H new ATOM 1102 N ASP A 76 -7.989 -9.106 1.619 1.00 0.00 N ATOM 1103 CA ASP A 76 -7.500 -7.732 1.598 1.00 0.00 C ATOM 1104 C ASP A 76 -7.488 -7.182 0.175 1.00 0.00 C ATOM 1105 O ASP A 76 -7.554 -5.971 -0.033 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.095 -7.659 2.198 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.033 -8.240 3.597 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -6.467 -7.553 4.546 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.551 -9.383 3.744 1.00 0.00 O ATOM 0 H ASP A 76 -7.258 -9.813 1.702 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.175 -7.122 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.399 -8.196 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.768 -6.620 2.224 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.401 -8.080 -0.801 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.381 -7.685 -2.204 1.00 0.00 C ATOM 1116 C ALA A 77 -8.660 -6.948 -2.585 1.00 0.00 C ATOM 1117 O ALA A 77 -9.752 -7.511 -2.529 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.186 -8.904 -3.093 1.00 0.00 C ATOM 0 H ALA A 77 -7.343 -9.086 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.543 -7.004 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.173 -8.594 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.241 -9.387 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.005 -9.606 -2.933 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.517 -5.684 -2.972 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.670 -4.891 -3.356 1.00 0.00 C ATOM 1126 C GLY A 78 -9.284 -3.521 -3.877 1.00 0.00 C ATOM 1127 O GLY A 78 -9.149 -3.325 -5.085 1.00 0.00 O ATOM 0 H GLY A 78 -7.623 -5.195 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.233 -5.422 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.331 -4.777 -2.497 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.107 -2.570 -2.965 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.736 -1.211 -3.341 1.00 0.00 C ATOM 1133 C GLU A 79 -7.866 -0.567 -2.266 1.00 0.00 C ATOM 1134 O GLU A 79 -8.299 -0.385 -1.128 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.989 -0.363 -3.575 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.734 0.881 -4.409 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.940 1.798 -4.471 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.188 2.519 -3.481 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.636 1.796 -5.508 1.00 0.00 O ATOM 0 H GLU A 79 -9.215 -2.716 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.162 -1.261 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.744 -0.974 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.402 -0.066 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.888 1.427 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.455 0.585 -5.420 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.636 -0.224 -2.635 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.704 0.400 -1.703 1.00 0.00 C ATOM 1148 C VAL A 80 -5.715 1.918 -1.849 1.00 0.00 C ATOM 1149 O VAL A 80 -5.142 2.466 -2.792 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.269 -0.115 -1.915 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.313 0.547 -0.934 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.221 -1.629 -1.779 1.00 0.00 C ATOM 0 H VAL A 80 -6.262 -0.368 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.033 0.132 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.954 0.147 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.304 0.170 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.327 1.626 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.623 0.319 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.199 -1.976 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.556 -1.916 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.873 -2.082 -2.525 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.370 2.593 -0.910 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.454 4.049 -0.933 1.00 0.00 C ATOM 1164 C VAL A 81 -5.486 4.671 0.067 1.00 0.00 C ATOM 1165 O VAL A 81 -5.468 4.302 1.242 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.882 4.533 -0.618 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.873 6.004 -0.230 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.799 4.292 -1.807 1.00 0.00 C ATOM 0 H VAL A 81 -6.850 2.155 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.184 4.366 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.264 3.961 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.890 6.329 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.249 6.144 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.473 6.595 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.804 4.640 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.423 4.837 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.828 3.226 -2.034 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.681 5.617 -0.406 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.709 6.291 0.446 1.00 0.00 C ATOM 1180 C PHE A 82 -3.951 7.797 0.462 1.00 0.00 C ATOM 1181 O PHE A 82 -3.661 8.493 -0.511 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.287 5.996 -0.034 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.302 7.077 0.309 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.127 7.481 1.623 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.552 7.690 -0.682 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.222 8.475 1.943 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.355 8.684 -0.368 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.520 9.078 0.946 1.00 0.00 C ATOM 0 H PHE A 82 -4.683 5.934 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.828 5.911 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.951 5.057 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.299 5.856 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.705 7.013 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.678 7.387 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.095 8.780 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.935 9.153 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.228 9.856 1.193 1.00 0.00 H new ATOM 1198 N SER A 83 -4.486 8.293 1.573 1.00 0.00 N ATOM 1199 CA SER A 83 -4.772 9.716 1.714 1.00 0.00 C ATOM 1200 C SER A 83 -3.652 10.423 2.472 1.00 0.00 C ATOM 1201 O SER A 83 -3.029 9.845 3.363 1.00 0.00 O ATOM 1202 CB SER A 83 -6.103 9.921 2.441 1.00 0.00 C ATOM 1203 OG SER A 83 -7.186 9.933 1.527 1.00 0.00 O ATOM 0 H SER A 83 -4.730 7.731 2.388 1.00 0.00 H new ATOM 0 HA SER A 83 -4.841 10.148 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.248 9.125 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.079 10.860 2.993 1.00 0.00 H new ATOM 0 HG SER A 83 -8.025 10.064 2.016 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.402 11.677 2.111 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.359 12.465 2.757 1.00 0.00 C ATOM 1211 C VAL A 84 -2.541 13.952 2.478 1.00 0.00 C ATOM 1212 O VAL A 84 -2.696 14.365 1.329 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.957 12.033 2.285 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.754 12.389 0.820 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.117 12.673 3.152 1.00 0.00 C ATOM 0 H VAL A 84 -3.907 12.169 1.375 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.445 12.287 3.829 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.876 10.951 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.241 12.077 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.503 11.879 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.854 13.467 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.101 12.357 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.040 13.758 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.019 12.363 4.188 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.521 14.754 3.538 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.684 16.197 3.408 1.00 0.00 C ATOM 1227 C ARG A 85 -3.750 16.531 2.368 1.00 0.00 C ATOM 1228 O ARG A 85 -3.580 17.445 1.562 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.356 16.850 3.021 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.844 16.425 1.654 1.00 0.00 C ATOM 1231 CD ARG A 85 0.207 17.390 1.128 1.00 0.00 C ATOM 1232 NE ARG A 85 -0.381 18.650 0.683 1.00 0.00 N ATOM 1233 CZ ARG A 85 0.323 19.756 0.473 1.00 0.00 C ATOM 1234 NH1 ARG A 85 1.635 19.757 0.666 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -0.284 20.864 0.068 1.00 0.00 N ATOM 0 H ARG A 85 -2.394 14.429 4.496 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.005 16.590 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.476 17.933 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.607 16.603 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.420 15.423 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.676 16.374 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.941 17.588 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.742 16.927 0.299 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.388 18.682 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.105 18.907 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.174 20.608 0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.293 20.867 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.258 21.713 -0.093 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.850 15.784 2.394 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.926 16.016 1.449 1.00 0.00 C ATOM 1251 C GLY A 86 -5.844 15.104 0.240 1.00 0.00 C ATOM 1252 O GLY A 86 -6.862 14.605 -0.240 1.00 0.00 O ATOM 0 H GLY A 86 -5.015 15.023 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.883 15.866 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.898 17.055 1.119 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.630 14.888 -0.254 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.418 14.031 -1.415 1.00 0.00 C ATOM 1258 C LEU A 87 -4.938 12.621 -1.153 1.00 0.00 C ATOM 1259 O LEU A 87 -5.105 12.212 -0.004 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.931 13.981 -1.772 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.340 15.261 -2.363 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.835 15.305 -2.142 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.666 15.365 -3.845 1.00 0.00 C ATOM 0 H LEU A 87 -3.778 15.294 0.131 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.972 14.453 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.370 13.727 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.776 13.170 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.787 16.114 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.431 16.223 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.623 15.278 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.371 14.445 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.237 16.282 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.247 14.507 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.748 15.380 -3.979 1.00 0.00 H new ATOM 1275 N THR A 88 -5.190 11.880 -2.228 1.00 0.00 N ATOM 1276 CA THR A 88 -5.689 10.515 -2.115 1.00 0.00 C ATOM 1277 C THR A 88 -5.298 9.684 -3.331 1.00 0.00 C ATOM 1278 O THR A 88 -5.612 10.041 -4.466 1.00 0.00 O ATOM 1279 CB THR A 88 -7.222 10.489 -1.961 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.651 11.585 -1.146 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.681 9.178 -1.339 1.00 0.00 C ATOM 0 H THR A 88 -5.057 12.202 -3.186 1.00 0.00 H new ATOM 0 HA THR A 88 -5.234 10.085 -1.223 1.00 0.00 H new ATOM 0 HB THR A 88 -7.666 10.578 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.605 11.328 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.766 9.183 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.378 8.347 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.227 9.064 -0.354 1.00 0.00 H new ATOM 1289 N SER A 89 -4.611 8.573 -3.087 1.00 0.00 N ATOM 1290 CA SER A 89 -4.174 7.692 -4.163 1.00 0.00 C ATOM 1291 C SER A 89 -5.118 6.502 -4.310 1.00 0.00 C ATOM 1292 O SER A 89 -5.973 6.265 -3.456 1.00 0.00 O ATOM 1293 CB SER A 89 -2.750 7.198 -3.900 1.00 0.00 C ATOM 1294 OG SER A 89 -1.792 8.138 -4.354 1.00 0.00 O ATOM 0 H SER A 89 -4.345 8.261 -2.153 1.00 0.00 H new ATOM 0 HA SER A 89 -4.188 8.261 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.614 7.022 -2.833 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.594 6.244 -4.403 1.00 0.00 H new ATOM 0 HG SER A 89 -0.904 7.884 -4.026 1.00 0.00 H new ATOM 1300 N LYS A 90 -4.957 5.758 -5.398 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.793 4.592 -5.658 1.00 0.00 C ATOM 1302 C LYS A 90 -4.985 3.481 -6.322 1.00 0.00 C ATOM 1303 O LYS A 90 -4.053 3.746 -7.080 1.00 0.00 O ATOM 1304 CB LYS A 90 -6.978 4.976 -6.547 1.00 0.00 C ATOM 1305 CG LYS A 90 -7.498 6.380 -6.293 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.985 6.486 -6.590 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.821 5.865 -5.482 1.00 0.00 C ATOM 1308 NZ LYS A 90 -11.256 5.758 -5.864 1.00 0.00 N ATOM 0 H LYS A 90 -4.255 5.941 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.168 4.224 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.680 4.891 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.787 4.263 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.313 6.655 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.951 7.090 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.259 7.534 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.205 5.989 -7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.433 4.874 -5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.730 6.466 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.792 5.330 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.633 6.706 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.346 5.163 -6.712 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.350 2.236 -6.032 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.662 1.085 -6.604 1.00 0.00 C ATOM 1324 C ALA A 91 -5.482 -0.188 -6.427 1.00 0.00 C ATOM 1325 O ALA A 91 -6.541 -0.174 -5.800 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.288 0.923 -5.970 1.00 0.00 C ATOM 0 H ALA A 91 -6.118 1.999 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.538 1.261 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.785 0.060 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.695 1.819 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.398 0.774 -4.896 1.00 0.00 H new ATOM 1332 N SER A 92 -4.985 -1.288 -6.984 1.00 0.00 N ATOM 1333 CA SER A 92 -5.674 -2.570 -6.892 1.00 0.00 C ATOM 1334 C SER A 92 -4.702 -3.683 -6.514 1.00 0.00 C ATOM 1335 O SER A 92 -3.614 -3.793 -7.081 1.00 0.00 O ATOM 1336 CB SER A 92 -6.357 -2.903 -8.220 1.00 0.00 C ATOM 1337 OG SER A 92 -7.504 -3.709 -8.016 1.00 0.00 O ATOM 0 H SER A 92 -4.108 -1.317 -7.504 1.00 0.00 H new ATOM 0 HA SER A 92 -6.431 -2.492 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.642 -1.981 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.655 -3.422 -8.873 1.00 0.00 H new ATOM 0 HG SER A 92 -7.923 -3.906 -8.880 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.102 -4.507 -5.551 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.268 -5.614 -5.095 1.00 0.00 C ATOM 1345 C LEU A 93 -4.837 -6.951 -5.557 1.00 0.00 C ATOM 1346 O LEU A 93 -5.975 -7.297 -5.234 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.150 -5.595 -3.570 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.455 -6.800 -2.936 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.095 -7.030 -3.577 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.311 -6.603 -1.434 1.00 0.00 C ATOM 0 H LEU A 93 -5.999 -4.429 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.276 -5.493 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.610 -4.694 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.152 -5.516 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.070 -7.683 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.615 -7.892 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.222 -7.216 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.472 -6.147 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.814 -7.470 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.718 -5.710 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.298 -6.488 -0.986 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.039 -7.700 -6.310 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.463 -9.001 -6.812 1.00 0.00 C ATOM 1364 C ILE A 94 -3.858 -10.133 -5.987 1.00 0.00 C ATOM 1365 O ILE A 94 -2.713 -10.530 -6.204 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.069 -9.191 -8.289 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.747 -8.131 -9.160 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.440 -10.589 -8.761 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.052 -6.788 -9.128 1.00 0.00 C ATOM 0 H ILE A 94 -3.095 -7.428 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.549 -9.033 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.989 -9.073 -8.380 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.784 -8.488 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.778 -8.006 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.155 -10.708 -9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.915 -11.328 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.516 -10.734 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.587 -6.086 -9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.038 -6.410 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.029 -6.899 -9.487 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.636 -10.649 -5.041 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.178 -11.737 -4.185 1.00 0.00 C ATOM 1383 C VAL A 95 -4.886 -13.043 -4.530 1.00 0.00 C ATOM 1384 O VAL A 95 -6.055 -13.235 -4.192 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.412 -11.417 -2.697 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.020 -12.602 -1.827 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.640 -10.170 -2.293 1.00 0.00 C ATOM 0 H VAL A 95 -5.586 -10.331 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.108 -11.849 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.474 -11.224 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.192 -12.357 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.621 -13.469 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.965 -12.830 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.817 -9.958 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.575 -10.333 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.975 -9.324 -2.894 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.171 -13.937 -5.204 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.731 -15.225 -5.596 1.00 0.00 C ATOM 1399 C ARG A 96 -4.573 -16.250 -4.477 1.00 0.00 C ATOM 1400 O ARG A 96 -3.681 -16.132 -3.636 1.00 0.00 O ATOM 1401 CB ARG A 96 -4.052 -15.734 -6.869 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.311 -14.864 -8.088 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.291 -15.682 -9.370 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.612 -16.201 -9.709 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.839 -17.025 -10.727 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -4.838 -17.420 -11.500 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -7.071 -17.454 -10.972 1.00 0.00 N ATOM 0 H ARG A 96 -3.203 -13.793 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.795 -15.087 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.977 -15.794 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.399 -16.746 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.277 -14.370 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.556 -14.080 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.924 -15.063 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.593 -16.512 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.404 -15.916 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.890 -17.092 -11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.015 -18.052 -12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.844 -17.151 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.245 -18.086 -11.753 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.444 -17.254 -4.473 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.400 -18.298 -3.456 1.00 0.00 C ATOM 1423 C GLU A 97 -4.533 -19.467 -3.913 1.00 0.00 C ATOM 1424 O GLU A 97 -4.755 -20.038 -4.981 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.814 -18.790 -3.138 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.678 -17.752 -2.444 1.00 0.00 C ATOM 1427 CD GLU A 97 -9.160 -18.045 -2.575 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.670 -18.881 -1.800 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -9.811 -17.438 -3.451 1.00 0.00 O ATOM 0 H GLU A 97 -6.188 -17.367 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.959 -17.873 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.301 -19.094 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.748 -19.676 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.412 -17.710 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.467 -16.769 -2.865 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.545 -19.818 -3.097 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.643 -20.918 -3.418 1.00 0.00 C ATOM 1438 C ARG A 98 -3.349 -22.262 -3.266 1.00 0.00 C ATOM 1439 O ARG A 98 -3.792 -22.622 -2.176 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.408 -20.873 -2.515 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.472 -22.055 -2.706 1.00 0.00 C ATOM 1442 CD ARG A 98 0.044 -22.133 -4.134 1.00 0.00 C ATOM 1443 NE ARG A 98 0.767 -23.376 -4.388 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.998 -23.613 -3.950 1.00 0.00 C ATOM 1445 NH1 ARG A 98 2.641 -22.695 -3.241 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.590 -24.769 -4.222 1.00 0.00 N ATOM 0 H ARG A 98 -3.348 -19.357 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.330 -20.807 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.860 -19.951 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.730 -20.840 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.369 -21.969 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.995 -22.978 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.794 -22.053 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.701 -21.285 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 98 0.301 -24.102 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.190 -21.805 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.586 -22.879 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.099 -25.477 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.536 -24.949 -3.885 1.00 0.00 H new ATOM 1460 N SER A 99 -3.450 -22.999 -4.368 1.00 0.00 N ATOM 1461 CA SER A 99 -4.106 -24.301 -4.358 1.00 0.00 C ATOM 1462 C SER A 99 -3.220 -25.351 -3.695 1.00 0.00 C ATOM 1463 O SER A 99 -1.998 -25.325 -3.833 1.00 0.00 O ATOM 1464 CB SER A 99 -4.448 -24.734 -5.785 1.00 0.00 C ATOM 1465 OG SER A 99 -3.275 -24.917 -6.558 1.00 0.00 O ATOM 0 H SER A 99 -3.086 -22.717 -5.278 1.00 0.00 H new ATOM 0 HA SER A 99 -5.027 -24.212 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.019 -25.662 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.083 -23.982 -6.254 1.00 0.00 H new ATOM 0 HG SER A 99 -3.521 -25.195 -7.465 1.00 0.00 H new ATOM 1471 N GLY A 100 -3.847 -26.276 -2.974 1.00 0.00 N ATOM 1472 CA GLY A 100 -3.101 -27.322 -2.299 1.00 0.00 C ATOM 1473 C GLY A 100 -3.448 -28.705 -2.813 1.00 0.00 C ATOM 1474 O GLY A 100 -4.548 -28.947 -3.311 1.00 0.00 O ATOM 0 H GLY A 100 -4.858 -26.319 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.033 -27.146 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.302 -27.274 -1.229 1.00 0.00 H new ATOM 1478 N PRO A 101 -2.496 -29.641 -2.694 1.00 0.00 N ATOM 1479 CA PRO A 101 -2.683 -31.023 -3.146 1.00 0.00 C ATOM 1480 C PRO A 101 -3.679 -31.786 -2.278 1.00 0.00 C ATOM 1481 O PRO A 101 -4.269 -31.226 -1.355 1.00 0.00 O ATOM 1482 CB PRO A 101 -1.285 -31.632 -3.016 1.00 0.00 C ATOM 1483 CG PRO A 101 -0.612 -30.816 -1.967 1.00 0.00 C ATOM 1484 CD PRO A 101 -1.162 -29.423 -2.110 1.00 0.00 C ATOM 0 HA PRO A 101 -3.090 -31.070 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.336 -32.682 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.744 -31.586 -3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.814 -31.215 -0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.470 -30.824 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.223 -28.914 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.536 -28.808 -2.757 1.00 0.00 H new ATOM 1492 N SER A 102 -3.859 -33.068 -2.581 1.00 0.00 N ATOM 1493 CA SER A 102 -4.786 -33.907 -1.830 1.00 0.00 C ATOM 1494 C SER A 102 -4.041 -35.017 -1.095 1.00 0.00 C ATOM 1495 O SER A 102 -4.170 -36.195 -1.430 1.00 0.00 O ATOM 1496 CB SER A 102 -5.832 -34.514 -2.768 1.00 0.00 C ATOM 1497 OG SER A 102 -5.223 -35.069 -3.921 1.00 0.00 O ATOM 0 H SER A 102 -3.376 -33.548 -3.340 1.00 0.00 H new ATOM 0 HA SER A 102 -5.289 -33.281 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.392 -35.287 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.548 -33.747 -3.064 1.00 0.00 H new ATOM 0 HG SER A 102 -4.543 -35.721 -3.650 1.00 0.00 H new ATOM 1503 N SER A 103 -3.259 -34.633 -0.091 1.00 0.00 N ATOM 1504 CA SER A 103 -2.489 -35.594 0.689 1.00 0.00 C ATOM 1505 C SER A 103 -3.411 -36.591 1.385 1.00 0.00 C ATOM 1506 O SER A 103 -4.461 -36.223 1.908 1.00 0.00 O ATOM 1507 CB SER A 103 -1.629 -34.868 1.726 1.00 0.00 C ATOM 1508 OG SER A 103 -2.389 -34.531 2.874 1.00 0.00 O ATOM 0 H SER A 103 -3.142 -33.663 0.201 1.00 0.00 H new ATOM 0 HA SER A 103 -1.839 -36.141 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.790 -35.501 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.209 -33.964 1.286 1.00 0.00 H new ATOM 0 HG SER A 103 -1.816 -34.070 3.522 1.00 0.00 H new ATOM 1514 N GLY A 104 -3.008 -37.858 1.386 1.00 0.00 N ATOM 1515 CA GLY A 104 -3.808 -38.891 2.019 1.00 0.00 C ATOM 1516 C GLY A 104 -4.321 -39.916 1.028 1.00 0.00 C ATOM 1517 O GLY A 104 -3.642 -40.900 0.734 1.00 0.00 O ATOM 0 H GLY A 104 -2.142 -38.188 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.211 -39.393 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.653 -38.430 2.530 1.00 0.00 H new TER 1521 GLY A 104