USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 5 THR OG1 : rot 60:sc= 0.473 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= -0.0163 (180deg=-0.166) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -14:sc= -0.0743 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -131:sc= -0.0122 (180deg=-0.229) USER MOD Single : A 21 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 66:sc= -2.23 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.908 X(o=-0.91,f=-0.41) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.521) USER MOD Single : A 50 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.41 K(o=-2.4,f=-1.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.383 USER MOD Single : A 67 SER OG : rot -31:sc= 0.0834 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.915 22.456 11.686 1.00 0.00 N ATOM 2 CA GLY A 1 47.497 21.872 12.928 1.00 0.00 C ATOM 3 C GLY A 1 48.721 21.028 12.571 1.00 0.00 C ATOM 4 O GLY A 1 49.820 21.291 13.022 1.00 0.00 O ATOM 0 H1 GLY A 1 46.083 23.030 11.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 47.625 23.056 11.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.631 21.690 11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.779 22.667 13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.754 21.257 13.436 1.00 0.00 H new ATOM 10 N SER A 2 48.537 20.015 11.762 1.00 0.00 N ATOM 11 CA SER A 2 49.686 19.146 11.368 1.00 0.00 C ATOM 12 C SER A 2 50.032 19.362 9.892 1.00 0.00 C ATOM 13 O SER A 2 49.161 19.419 9.045 1.00 0.00 O ATOM 14 CB SER A 2 49.198 17.716 11.601 1.00 0.00 C ATOM 15 OG SER A 2 48.913 17.536 12.982 1.00 0.00 O ATOM 0 H SER A 2 47.638 19.752 11.357 1.00 0.00 H new ATOM 0 HA SER A 2 50.587 19.368 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 48.306 17.522 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 49.957 17.003 11.279 1.00 0.00 H new ATOM 0 HG SER A 2 48.598 16.621 13.134 1.00 0.00 H new ATOM 21 N MET A 3 51.298 19.482 9.583 1.00 0.00 N ATOM 22 CA MET A 3 51.712 19.697 8.163 1.00 0.00 C ATOM 23 C MET A 3 52.947 18.849 7.836 1.00 0.00 C ATOM 24 O MET A 3 53.910 19.335 7.273 1.00 0.00 O ATOM 25 CB MET A 3 52.036 21.192 8.058 1.00 0.00 C ATOM 26 CG MET A 3 53.142 21.562 9.054 1.00 0.00 C ATOM 27 SD MET A 3 53.796 23.200 8.648 1.00 0.00 S ATOM 28 CE MET A 3 55.327 23.074 9.603 1.00 0.00 C ATOM 0 H MET A 3 52.065 19.440 10.254 1.00 0.00 H new ATOM 0 HA MET A 3 50.933 19.404 7.459 1.00 0.00 H new ATOM 0 HB2 MET A 3 52.354 21.433 7.044 1.00 0.00 H new ATOM 0 HB3 MET A 3 51.142 21.781 8.260 1.00 0.00 H new ATOM 0 HG2 MET A 3 52.747 21.558 10.070 1.00 0.00 H new ATOM 0 HG3 MET A 3 53.941 20.821 9.019 1.00 0.00 H new ATOM 0 HE1 MET A 3 55.900 23.995 9.495 1.00 0.00 H new ATOM 0 HE2 MET A 3 55.088 22.917 10.655 1.00 0.00 H new ATOM 0 HE3 MET A 3 55.917 22.234 9.236 1.00 0.00 H new ATOM 38 N SER A 4 52.919 17.589 8.184 1.00 0.00 N ATOM 39 CA SER A 4 54.085 16.701 7.897 1.00 0.00 C ATOM 40 C SER A 4 53.765 15.768 6.727 1.00 0.00 C ATOM 41 O SER A 4 54.283 14.670 6.638 1.00 0.00 O ATOM 42 CB SER A 4 54.299 15.899 9.180 1.00 0.00 C ATOM 43 OG SER A 4 53.051 15.383 9.624 1.00 0.00 O ATOM 0 H SER A 4 52.137 17.135 8.656 1.00 0.00 H new ATOM 0 HA SER A 4 54.974 17.266 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 4 55.000 15.084 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 4 54.738 16.533 9.950 1.00 0.00 H new ATOM 0 HG SER A 4 53.184 14.866 10.446 1.00 0.00 H new ATOM 49 N THR A 5 52.916 16.200 5.830 1.00 0.00 N ATOM 50 CA THR A 5 52.555 15.346 4.659 1.00 0.00 C ATOM 51 C THR A 5 53.361 15.769 3.428 1.00 0.00 C ATOM 52 O THR A 5 52.856 16.434 2.543 1.00 0.00 O ATOM 53 CB THR A 5 51.061 15.592 4.435 1.00 0.00 C ATOM 54 OG1 THR A 5 50.829 16.987 4.293 1.00 0.00 O ATOM 55 CG2 THR A 5 50.268 15.060 5.630 1.00 0.00 C ATOM 0 H THR A 5 52.456 17.110 5.858 1.00 0.00 H new ATOM 0 HA THR A 5 52.772 14.292 4.833 1.00 0.00 H new ATOM 0 HB THR A 5 50.739 15.075 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 5 51.340 17.328 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.205 15.236 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 5 50.446 13.990 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 5 50.587 15.574 6.537 1.00 0.00 H new ATOM 63 N SER A 6 54.611 15.386 3.370 1.00 0.00 N ATOM 64 CA SER A 6 55.460 15.760 2.196 1.00 0.00 C ATOM 65 C SER A 6 54.890 15.135 0.919 1.00 0.00 C ATOM 66 O SER A 6 53.714 14.834 0.841 1.00 0.00 O ATOM 67 CB SER A 6 56.847 15.191 2.506 1.00 0.00 C ATOM 68 OG SER A 6 57.239 15.594 3.811 1.00 0.00 O ATOM 0 H SER A 6 55.081 14.830 4.084 1.00 0.00 H new ATOM 0 HA SER A 6 55.495 16.838 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 56.830 14.103 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 6 57.570 15.544 1.771 1.00 0.00 H new ATOM 0 HG SER A 6 58.126 15.230 4.013 1.00 0.00 H new ATOM 74 N GLU A 7 55.715 14.936 -0.078 1.00 0.00 N ATOM 75 CA GLU A 7 55.225 14.328 -1.352 1.00 0.00 C ATOM 76 C GLU A 7 55.306 12.800 -1.273 1.00 0.00 C ATOM 77 O GLU A 7 55.863 12.155 -2.142 1.00 0.00 O ATOM 78 CB GLU A 7 56.167 14.862 -2.434 1.00 0.00 C ATOM 79 CG GLU A 7 56.055 16.386 -2.506 1.00 0.00 C ATOM 80 CD GLU A 7 57.340 16.964 -3.101 1.00 0.00 C ATOM 81 OE1 GLU A 7 57.865 16.363 -4.023 1.00 0.00 O ATOM 82 OE2 GLU A 7 57.776 18.000 -2.625 1.00 0.00 O ATOM 0 H GLU A 7 56.708 15.169 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 7 54.185 14.580 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 7 57.194 14.573 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 55.915 14.423 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 7 55.199 16.670 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 7 55.886 16.796 -1.510 1.00 0.00 H new ATOM 89 N LEU A 8 54.754 12.220 -0.236 1.00 0.00 N ATOM 90 CA LEU A 8 54.800 10.733 -0.094 1.00 0.00 C ATOM 91 C LEU A 8 53.624 10.086 -0.842 1.00 0.00 C ATOM 92 O LEU A 8 52.478 10.220 -0.458 1.00 0.00 O ATOM 93 CB LEU A 8 54.717 10.468 1.417 1.00 0.00 C ATOM 94 CG LEU A 8 53.382 10.983 1.983 1.00 0.00 C ATOM 95 CD1 LEU A 8 52.447 9.801 2.253 1.00 0.00 C ATOM 96 CD2 LEU A 8 53.633 11.737 3.293 1.00 0.00 C ATOM 0 H LEU A 8 54.274 12.712 0.518 1.00 0.00 H new ATOM 0 HA LEU A 8 55.706 10.305 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.813 9.400 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.547 10.959 1.924 1.00 0.00 H new ATOM 0 HG LEU A 8 52.922 11.655 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 8 51.502 10.169 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 8 52.262 9.264 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 8 52.910 9.128 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.686 12.100 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.097 11.066 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.296 12.582 3.105 1.00 0.00 H new ATOM 108 N LYS A 9 53.907 9.385 -1.911 1.00 0.00 N ATOM 109 CA LYS A 9 52.818 8.720 -2.695 1.00 0.00 C ATOM 110 C LYS A 9 53.421 7.841 -3.790 1.00 0.00 C ATOM 111 O LYS A 9 52.888 7.735 -4.878 1.00 0.00 O ATOM 112 CB LYS A 9 51.990 9.858 -3.309 1.00 0.00 C ATOM 113 CG LYS A 9 52.885 10.750 -4.175 1.00 0.00 C ATOM 114 CD LYS A 9 52.151 12.053 -4.497 1.00 0.00 C ATOM 115 CE LYS A 9 53.164 13.118 -4.921 1.00 0.00 C ATOM 116 NZ LYS A 9 52.381 14.382 -5.002 1.00 0.00 N ATOM 0 H LYS A 9 54.849 9.243 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 9 52.202 8.075 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 9 51.181 9.446 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 9 51.528 10.450 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 9 53.817 10.965 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 9 53.149 10.232 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 9 51.426 11.887 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 9 51.593 12.394 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 9 53.975 13.202 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 9 53.617 12.872 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 53.008 15.161 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 51.620 14.275 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 51.967 14.594 -4.072 1.00 0.00 H new ATOM 130 N LYS A 10 54.529 7.209 -3.504 1.00 0.00 N ATOM 131 CA LYS A 10 55.187 6.326 -4.518 1.00 0.00 C ATOM 132 C LYS A 10 56.384 5.595 -3.893 1.00 0.00 C ATOM 133 O LYS A 10 57.282 6.207 -3.349 1.00 0.00 O ATOM 134 CB LYS A 10 55.654 7.267 -5.641 1.00 0.00 C ATOM 135 CG LYS A 10 55.125 6.768 -6.990 1.00 0.00 C ATOM 136 CD LYS A 10 55.957 7.378 -8.121 1.00 0.00 C ATOM 137 CE LYS A 10 55.272 8.648 -8.633 1.00 0.00 C ATOM 138 NZ LYS A 10 55.932 9.763 -7.898 1.00 0.00 N ATOM 0 H LYS A 10 55.011 7.266 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 10 54.508 5.560 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.297 8.279 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.743 7.312 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.176 5.680 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 10 54.077 7.043 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.960 7.612 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 10 56.068 6.660 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.396 8.757 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.200 8.625 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.213 10.445 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 56.435 9.384 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.610 10.240 -8.526 1.00 0.00 H new ATOM 152 N VAL A 11 56.398 4.291 -3.984 1.00 0.00 N ATOM 153 CA VAL A 11 57.528 3.491 -3.413 1.00 0.00 C ATOM 154 C VAL A 11 57.626 2.160 -4.152 1.00 0.00 C ATOM 155 O VAL A 11 56.661 1.685 -4.710 1.00 0.00 O ATOM 156 CB VAL A 11 57.214 3.261 -1.930 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.430 4.564 -1.163 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.768 2.784 -1.751 1.00 0.00 C ATOM 0 H VAL A 11 55.668 3.738 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 11 58.480 4.010 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 11 57.879 2.490 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.208 4.406 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.467 4.883 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.770 5.334 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.565 2.627 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.085 3.538 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.624 1.848 -2.291 1.00 0.00 H new ATOM 168 N VAL A 12 58.785 1.562 -4.161 1.00 0.00 N ATOM 169 CA VAL A 12 58.960 0.265 -4.877 1.00 0.00 C ATOM 170 C VAL A 12 58.918 -0.884 -3.848 1.00 0.00 C ATOM 171 O VAL A 12 58.766 -0.651 -2.668 1.00 0.00 O ATOM 172 CB VAL A 12 60.343 0.435 -5.577 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.259 -0.793 -5.441 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.120 0.706 -7.060 1.00 0.00 C ATOM 0 H VAL A 12 59.623 1.917 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 12 58.186 0.021 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 12 60.842 1.267 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.202 -0.602 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.451 -0.989 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.773 -1.660 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.083 0.826 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.583 -0.131 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.534 1.617 -7.179 1.00 0.00 H new ATOM 184 N ALA A 13 59.065 -2.110 -4.288 1.00 0.00 N ATOM 185 CA ALA A 13 59.052 -3.262 -3.334 1.00 0.00 C ATOM 186 C ALA A 13 60.320 -4.101 -3.514 1.00 0.00 C ATOM 187 O ALA A 13 60.789 -4.301 -4.619 1.00 0.00 O ATOM 188 CB ALA A 13 57.819 -4.078 -3.707 1.00 0.00 C ATOM 0 H ALA A 13 59.194 -2.363 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 13 59.023 -2.937 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.742 -4.943 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.928 -3.460 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.905 -4.415 -4.740 1.00 0.00 H new ATOM 194 N LEU A 14 60.878 -4.590 -2.436 1.00 0.00 N ATOM 195 CA LEU A 14 62.119 -5.416 -2.537 1.00 0.00 C ATOM 196 C LEU A 14 61.785 -6.905 -2.405 1.00 0.00 C ATOM 197 O LEU A 14 62.493 -7.753 -2.914 1.00 0.00 O ATOM 198 CB LEU A 14 62.996 -4.958 -1.371 1.00 0.00 C ATOM 199 CG LEU A 14 63.430 -3.509 -1.598 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.156 -2.991 -0.355 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.372 -3.443 -2.803 1.00 0.00 C ATOM 0 H LEU A 14 60.527 -4.453 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 14 62.617 -5.290 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.446 -5.042 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.871 -5.602 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 14 62.551 -2.892 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.465 -1.958 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.486 -3.038 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.035 -3.607 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.682 -2.411 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.250 -4.060 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.855 -3.811 -3.689 1.00 0.00 H new ATOM 213 N TYR A 15 60.714 -7.227 -1.724 1.00 0.00 N ATOM 214 CA TYR A 15 60.333 -8.662 -1.555 1.00 0.00 C ATOM 215 C TYR A 15 58.811 -8.821 -1.637 1.00 0.00 C ATOM 216 O TYR A 15 58.098 -7.891 -1.962 1.00 0.00 O ATOM 217 CB TYR A 15 60.838 -9.046 -0.164 1.00 0.00 C ATOM 218 CG TYR A 15 62.288 -9.461 -0.253 1.00 0.00 C ATOM 219 CD1 TYR A 15 62.630 -10.698 -0.811 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.290 -8.607 0.224 1.00 0.00 C ATOM 221 CE1 TYR A 15 63.973 -11.082 -0.893 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.633 -8.991 0.143 1.00 0.00 C ATOM 223 CZ TYR A 15 64.975 -10.229 -0.415 1.00 0.00 C ATOM 224 OH TYR A 15 66.300 -10.607 -0.496 1.00 0.00 O ATOM 0 H TYR A 15 60.087 -6.558 -1.278 1.00 0.00 H new ATOM 0 HA TYR A 15 60.760 -9.295 -2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.731 -8.203 0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.239 -9.862 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 15 61.857 -11.357 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.026 -7.652 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 15 64.237 -12.036 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.406 -8.333 0.511 1.00 0.00 H new ATOM 0 HH TYR A 15 66.865 -9.900 -0.121 1.00 0.00 H new ATOM 234 N ASP A 16 58.315 -9.998 -1.348 1.00 0.00 N ATOM 235 CA ASP A 16 56.842 -10.234 -1.411 1.00 0.00 C ATOM 236 C ASP A 16 56.219 -10.125 -0.015 1.00 0.00 C ATOM 237 O ASP A 16 56.895 -10.244 0.989 1.00 0.00 O ATOM 238 CB ASP A 16 56.692 -11.656 -1.953 1.00 0.00 C ATOM 239 CG ASP A 16 56.810 -11.638 -3.479 1.00 0.00 C ATOM 240 OD1 ASP A 16 55.821 -11.332 -4.125 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.885 -11.930 -3.973 1.00 0.00 O ATOM 0 H ASP A 16 58.870 -10.808 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 16 56.337 -9.500 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.460 -12.302 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.728 -12.069 -1.657 1.00 0.00 H new ATOM 246 N TYR A 17 54.931 -9.897 0.048 1.00 0.00 N ATOM 247 CA TYR A 17 54.239 -9.776 1.367 1.00 0.00 C ATOM 248 C TYR A 17 52.720 -9.809 1.148 1.00 0.00 C ATOM 249 O TYR A 17 52.039 -8.811 1.295 1.00 0.00 O ATOM 250 CB TYR A 17 54.712 -8.422 1.929 1.00 0.00 C ATOM 251 CG TYR A 17 53.899 -8.023 3.146 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.699 -8.935 4.190 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.346 -6.739 3.222 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.945 -8.559 5.311 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.594 -6.365 4.341 1.00 0.00 C ATOM 256 CZ TYR A 17 52.393 -7.274 5.385 1.00 0.00 C ATOM 257 OH TYR A 17 51.651 -6.905 6.488 1.00 0.00 O ATOM 0 H TYR A 17 54.325 -9.789 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 17 54.468 -10.588 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.767 -8.484 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.623 -7.654 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.125 -9.926 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.500 -6.037 2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.790 -9.260 6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.169 -5.374 4.399 1.00 0.00 H new ATOM 0 HH TYR A 17 51.419 -7.703 7.008 1.00 0.00 H new ATOM 267 N MET A 18 52.191 -10.954 0.794 1.00 0.00 N ATOM 268 CA MET A 18 50.717 -11.066 0.558 1.00 0.00 C ATOM 269 C MET A 18 49.944 -10.761 1.853 1.00 0.00 C ATOM 270 O MET A 18 50.517 -10.793 2.924 1.00 0.00 O ATOM 271 CB MET A 18 50.486 -12.516 0.125 1.00 0.00 C ATOM 272 CG MET A 18 50.601 -12.619 -1.397 1.00 0.00 C ATOM 273 SD MET A 18 50.733 -14.360 -1.875 1.00 0.00 S ATOM 274 CE MET A 18 52.428 -14.294 -2.504 1.00 0.00 C ATOM 0 H MET A 18 52.717 -11.818 0.658 1.00 0.00 H new ATOM 0 HA MET A 18 50.369 -10.358 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.217 -13.170 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.501 -12.851 0.449 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.730 -12.166 -1.870 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.475 -12.068 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 18 52.723 -15.281 -2.859 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.483 -13.581 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.100 -13.980 -1.706 1.00 0.00 H new ATOM 284 N PRO A 19 48.661 -10.462 1.726 1.00 0.00 N ATOM 285 CA PRO A 19 47.841 -10.144 2.920 1.00 0.00 C ATOM 286 C PRO A 19 47.637 -11.391 3.787 1.00 0.00 C ATOM 287 O PRO A 19 47.836 -12.506 3.345 1.00 0.00 O ATOM 288 CB PRO A 19 46.515 -9.680 2.303 1.00 0.00 C ATOM 289 CG PRO A 19 46.631 -9.758 0.769 1.00 0.00 C ATOM 290 CD PRO A 19 47.962 -10.419 0.412 1.00 0.00 C ATOM 0 HA PRO A 19 48.296 -9.402 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.695 -10.308 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.290 -8.660 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.801 -10.332 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.576 -8.760 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.821 -11.416 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.518 -9.840 -0.325 1.00 0.00 H new ATOM 298 N MET A 20 47.231 -11.202 5.015 1.00 0.00 N ATOM 299 CA MET A 20 46.997 -12.364 5.924 1.00 0.00 C ATOM 300 C MET A 20 45.516 -12.421 6.299 1.00 0.00 C ATOM 301 O MET A 20 44.894 -13.466 6.272 1.00 0.00 O ATOM 302 CB MET A 20 47.850 -12.089 7.165 1.00 0.00 C ATOM 303 CG MET A 20 49.319 -11.944 6.762 1.00 0.00 C ATOM 304 SD MET A 20 50.381 -12.528 8.107 1.00 0.00 S ATOM 305 CE MET A 20 50.188 -14.300 7.795 1.00 0.00 C ATOM 0 H MET A 20 47.050 -10.288 5.430 1.00 0.00 H new ATOM 0 HA MET A 20 47.260 -13.315 5.462 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.507 -11.180 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 20 47.739 -12.903 7.882 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.516 -12.517 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.543 -10.902 6.535 1.00 0.00 H new ATOM 0 HE1 MET A 20 49.945 -14.809 8.728 1.00 0.00 H new ATOM 0 HE2 MET A 20 49.385 -14.457 7.075 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.118 -14.702 7.394 1.00 0.00 H new ATOM 315 N ASN A 21 44.953 -11.293 6.642 1.00 0.00 N ATOM 316 CA ASN A 21 43.509 -11.248 7.017 1.00 0.00 C ATOM 317 C ASN A 21 42.791 -10.178 6.194 1.00 0.00 C ATOM 318 O ASN A 21 41.820 -10.450 5.513 1.00 0.00 O ATOM 319 CB ASN A 21 43.495 -10.885 8.502 1.00 0.00 C ATOM 320 CG ASN A 21 43.547 -12.164 9.341 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.567 -12.544 9.950 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.658 -12.848 9.398 1.00 0.00 N ATOM 0 H ASN A 21 45.435 -10.395 6.679 1.00 0.00 H new ATOM 0 HA ASN A 21 43.000 -12.193 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.346 -10.247 8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 21 42.595 -10.318 8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.703 -13.702 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.480 -12.528 8.886 1.00 0.00 H new ATOM 329 N ALA A 22 43.268 -8.963 6.254 1.00 0.00 N ATOM 330 CA ALA A 22 42.631 -7.854 5.478 1.00 0.00 C ATOM 331 C ALA A 22 43.504 -6.598 5.535 1.00 0.00 C ATOM 332 O ALA A 22 43.664 -5.896 4.554 1.00 0.00 O ATOM 333 CB ALA A 22 41.287 -7.602 6.164 1.00 0.00 C ATOM 0 H ALA A 22 44.077 -8.688 6.811 1.00 0.00 H new ATOM 0 HA ALA A 22 42.508 -8.110 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.760 -6.799 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.685 -8.510 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.456 -7.317 7.202 1.00 0.00 H new ATOM 339 N ASN A 23 44.068 -6.315 6.679 1.00 0.00 N ATOM 340 CA ASN A 23 44.938 -5.104 6.816 1.00 0.00 C ATOM 341 C ASN A 23 46.117 -5.164 5.864 1.00 0.00 C ATOM 342 O ASN A 23 46.324 -4.285 5.050 1.00 0.00 O ATOM 343 CB ASN A 23 45.472 -5.137 8.240 1.00 0.00 C ATOM 344 CG ASN A 23 44.550 -4.336 9.161 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.068 -3.284 8.792 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.283 -4.792 10.354 1.00 0.00 N ATOM 0 H ASN A 23 43.965 -6.870 7.528 1.00 0.00 H new ATOM 0 HA ASN A 23 44.370 -4.201 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.541 -6.168 8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.480 -4.722 8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.670 -4.265 10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.687 -5.675 10.665 1.00 0.00 H new ATOM 353 N ASP A 24 46.919 -6.184 6.007 1.00 0.00 N ATOM 354 CA ASP A 24 48.144 -6.322 5.164 1.00 0.00 C ATOM 355 C ASP A 24 47.848 -6.068 3.678 1.00 0.00 C ATOM 356 O ASP A 24 46.833 -6.490 3.155 1.00 0.00 O ATOM 357 CB ASP A 24 48.617 -7.760 5.380 1.00 0.00 C ATOM 358 CG ASP A 24 49.107 -7.931 6.820 1.00 0.00 C ATOM 359 OD1 ASP A 24 48.558 -7.282 7.695 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.024 -8.711 7.024 1.00 0.00 O ATOM 0 H ASP A 24 46.777 -6.937 6.680 1.00 0.00 H new ATOM 0 HA ASP A 24 48.900 -5.589 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.802 -8.455 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.420 -7.998 4.682 1.00 0.00 H new ATOM 365 N LEU A 25 48.730 -5.376 3.005 1.00 0.00 N ATOM 366 CA LEU A 25 48.517 -5.080 1.559 1.00 0.00 C ATOM 367 C LEU A 25 49.201 -6.150 0.704 1.00 0.00 C ATOM 368 O LEU A 25 50.172 -6.757 1.118 1.00 0.00 O ATOM 369 CB LEU A 25 49.161 -3.705 1.339 1.00 0.00 C ATOM 370 CG LEU A 25 48.866 -3.222 -0.086 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.430 -2.697 -0.166 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.833 -2.095 -0.459 1.00 0.00 C ATOM 0 H LEU A 25 49.593 -5.001 3.398 1.00 0.00 H new ATOM 0 HA LEU A 25 47.463 -5.079 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.773 -2.990 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.238 -3.767 1.498 1.00 0.00 H new ATOM 0 HG LEU A 25 48.990 -4.056 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.224 -2.355 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.736 -3.495 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.307 -1.867 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.621 -1.754 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.710 -1.265 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.858 -2.463 -0.407 1.00 0.00 H new ATOM 384 N GLN A 26 48.701 -6.388 -0.482 1.00 0.00 N ATOM 385 CA GLN A 26 49.316 -7.424 -1.365 1.00 0.00 C ATOM 386 C GLN A 26 50.507 -6.839 -2.123 1.00 0.00 C ATOM 387 O GLN A 26 50.363 -6.312 -3.211 1.00 0.00 O ATOM 388 CB GLN A 26 48.206 -7.829 -2.335 1.00 0.00 C ATOM 389 CG GLN A 26 48.660 -9.038 -3.155 1.00 0.00 C ATOM 390 CD GLN A 26 47.440 -9.867 -3.559 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.364 -9.335 -3.748 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.562 -11.159 -3.702 1.00 0.00 N ATOM 0 H GLN A 26 47.892 -5.909 -0.877 1.00 0.00 H new ATOM 0 HA GLN A 26 49.692 -8.276 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.297 -8.071 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.966 -6.997 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.198 -8.707 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.351 -9.648 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.465 -11.607 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.755 -11.721 -3.972 1.00 0.00 H new ATOM 401 N LEU A 27 51.681 -6.930 -1.553 1.00 0.00 N ATOM 402 CA LEU A 27 52.891 -6.383 -2.230 1.00 0.00 C ATOM 403 C LEU A 27 53.563 -7.467 -3.081 1.00 0.00 C ATOM 404 O LEU A 27 53.016 -8.527 -3.307 1.00 0.00 O ATOM 405 CB LEU A 27 53.808 -5.936 -1.089 1.00 0.00 C ATOM 406 CG LEU A 27 53.268 -4.644 -0.483 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.184 -4.982 0.546 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.409 -3.885 0.200 1.00 0.00 C ATOM 0 H LEU A 27 51.852 -7.361 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 27 52.654 -5.562 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.864 -6.713 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.821 -5.781 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 27 52.841 -4.021 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 27 51.796 -4.061 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.373 -5.522 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.611 -5.604 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.024 -2.962 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.838 -4.504 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.179 -3.648 -0.534 1.00 0.00 H new ATOM 420 N ARG A 28 54.750 -7.192 -3.557 1.00 0.00 N ATOM 421 CA ARG A 28 55.499 -8.171 -4.406 1.00 0.00 C ATOM 422 C ARG A 28 56.861 -7.570 -4.769 1.00 0.00 C ATOM 423 O ARG A 28 56.979 -6.379 -4.980 1.00 0.00 O ATOM 424 CB ARG A 28 54.646 -8.368 -5.671 1.00 0.00 C ATOM 425 CG ARG A 28 54.111 -9.802 -5.717 1.00 0.00 C ATOM 426 CD ARG A 28 52.947 -9.882 -6.708 1.00 0.00 C ATOM 427 NE ARG A 28 52.012 -10.881 -6.121 1.00 0.00 N ATOM 428 CZ ARG A 28 51.278 -11.625 -6.902 1.00 0.00 C ATOM 429 NH1 ARG A 28 50.680 -11.097 -7.935 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.142 -12.898 -6.651 1.00 0.00 N ATOM 0 H ARG A 28 55.242 -6.314 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 28 55.671 -9.120 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.817 -7.660 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.244 -8.164 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.904 -10.488 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.780 -10.110 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.464 -8.912 -6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.289 -10.193 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 28 51.945 -10.984 -5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 28 50.786 -10.102 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.106 -11.679 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.609 -13.312 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.568 -13.480 -7.262 1.00 0.00 H new ATOM 444 N LYS A 29 57.888 -8.378 -4.829 1.00 0.00 N ATOM 445 CA LYS A 29 59.245 -7.844 -5.164 1.00 0.00 C ATOM 446 C LYS A 29 59.251 -7.201 -6.554 1.00 0.00 C ATOM 447 O LYS A 29 58.848 -7.801 -7.532 1.00 0.00 O ATOM 448 CB LYS A 29 60.179 -9.058 -5.124 1.00 0.00 C ATOM 449 CG LYS A 29 61.619 -8.604 -5.373 1.00 0.00 C ATOM 450 CD LYS A 29 61.924 -8.668 -6.872 1.00 0.00 C ATOM 451 CE LYS A 29 63.394 -9.037 -7.079 1.00 0.00 C ATOM 452 NZ LYS A 29 63.413 -10.526 -7.125 1.00 0.00 N ATOM 0 H LYS A 29 57.847 -9.383 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 29 59.557 -7.068 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.105 -9.555 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.880 -9.785 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.759 -7.587 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.312 -9.240 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.282 -9.406 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.710 -7.706 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.783 -8.608 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.014 -8.659 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.389 -10.857 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.044 -10.906 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.819 -10.857 -7.912 1.00 0.00 H new ATOM 466 N GLY A 30 59.713 -5.978 -6.639 1.00 0.00 N ATOM 467 CA GLY A 30 59.759 -5.272 -7.954 1.00 0.00 C ATOM 468 C GLY A 30 58.506 -4.412 -8.132 1.00 0.00 C ATOM 469 O GLY A 30 58.513 -3.448 -8.875 1.00 0.00 O ATOM 0 H GLY A 30 60.062 -5.436 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.650 -4.646 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.829 -5.998 -8.764 1.00 0.00 H new ATOM 473 N ASP A 31 57.432 -4.750 -7.461 1.00 0.00 N ATOM 474 CA ASP A 31 56.181 -3.948 -7.598 1.00 0.00 C ATOM 475 C ASP A 31 56.308 -2.648 -6.798 1.00 0.00 C ATOM 476 O ASP A 31 57.058 -2.573 -5.849 1.00 0.00 O ATOM 477 CB ASP A 31 55.065 -4.833 -7.027 1.00 0.00 C ATOM 478 CG ASP A 31 53.885 -4.868 -8.001 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.127 -4.933 -9.194 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.758 -4.830 -7.535 1.00 0.00 O ATOM 0 H ASP A 31 57.370 -5.546 -6.826 1.00 0.00 H new ATOM 0 HA ASP A 31 55.978 -3.670 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.439 -5.843 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.740 -4.447 -6.061 1.00 0.00 H new ATOM 485 N GLU A 32 55.581 -1.628 -7.173 1.00 0.00 N ATOM 486 CA GLU A 32 55.664 -0.332 -6.426 1.00 0.00 C ATOM 487 C GLU A 32 54.264 0.048 -5.936 1.00 0.00 C ATOM 488 O GLU A 32 53.275 -0.468 -6.422 1.00 0.00 O ATOM 489 CB GLU A 32 56.212 0.714 -7.415 1.00 0.00 C ATOM 490 CG GLU A 32 57.359 0.135 -8.257 1.00 0.00 C ATOM 491 CD GLU A 32 56.787 -0.536 -9.507 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.428 0.179 -10.427 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.719 -1.754 -9.523 1.00 0.00 O ATOM 0 H GLU A 32 54.934 -1.633 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 32 56.316 -0.398 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.410 1.053 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.565 1.587 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.051 0.927 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.926 -0.588 -7.670 1.00 0.00 H new ATOM 500 N TYR A 33 54.170 0.904 -4.947 1.00 0.00 N ATOM 501 CA TYR A 33 52.829 1.262 -4.393 1.00 0.00 C ATOM 502 C TYR A 33 52.690 2.770 -4.180 1.00 0.00 C ATOM 503 O TYR A 33 53.511 3.559 -4.605 1.00 0.00 O ATOM 504 CB TYR A 33 52.764 0.561 -3.027 1.00 0.00 C ATOM 505 CG TYR A 33 53.339 -0.833 -3.107 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.821 -1.749 -4.024 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.412 -1.189 -2.284 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.372 -3.028 -4.116 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.969 -2.464 -2.380 1.00 0.00 C ATOM 510 CZ TYR A 33 54.447 -3.385 -3.296 1.00 0.00 C ATOM 511 OH TYR A 33 55.006 -4.635 -3.407 1.00 0.00 O ATOM 0 H TYR A 33 54.962 1.368 -4.502 1.00 0.00 H new ATOM 0 HA TYR A 33 52.035 0.960 -5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.315 1.144 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.729 0.513 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.995 -1.469 -4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.809 -0.478 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.969 -3.741 -4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.801 -2.740 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 33 55.432 -4.726 -4.285 1.00 0.00 H new ATOM 521 N PHE A 34 51.648 3.156 -3.492 1.00 0.00 N ATOM 522 CA PHE A 34 51.412 4.597 -3.191 1.00 0.00 C ATOM 523 C PHE A 34 51.385 4.802 -1.678 1.00 0.00 C ATOM 524 O PHE A 34 50.669 4.123 -0.968 1.00 0.00 O ATOM 525 CB PHE A 34 50.053 4.919 -3.802 1.00 0.00 C ATOM 526 CG PHE A 34 50.247 5.426 -5.210 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.672 4.550 -6.216 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.010 6.772 -5.509 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.860 5.021 -7.522 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.198 7.244 -6.813 1.00 0.00 C ATOM 531 CZ PHE A 34 50.622 6.369 -7.820 1.00 0.00 C ATOM 0 H PHE A 34 50.940 2.523 -3.121 1.00 0.00 H new ATOM 0 HA PHE A 34 52.192 5.242 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.424 4.029 -3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.539 5.669 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.855 3.511 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.682 7.447 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.188 4.346 -8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.016 8.284 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.766 6.733 -8.827 1.00 0.00 H new ATOM 541 N ILE A 35 52.176 5.713 -1.181 1.00 0.00 N ATOM 542 CA ILE A 35 52.224 5.942 0.294 1.00 0.00 C ATOM 543 C ILE A 35 51.199 6.984 0.739 1.00 0.00 C ATOM 544 O ILE A 35 51.149 8.089 0.234 1.00 0.00 O ATOM 545 CB ILE A 35 53.651 6.426 0.578 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.674 5.397 0.066 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.840 6.621 2.084 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.416 4.027 0.707 1.00 0.00 C ATOM 0 H ILE A 35 52.793 6.310 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 35 51.979 5.033 0.844 1.00 0.00 H new ATOM 0 HB ILE A 35 53.808 7.373 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.608 5.317 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.685 5.731 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.855 6.965 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.128 7.363 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.671 5.674 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.147 3.308 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.506 4.109 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.412 3.689 0.451 1.00 0.00 H new ATOM 560 N LEU A 36 50.394 6.628 1.704 1.00 0.00 N ATOM 561 CA LEU A 36 49.367 7.570 2.231 1.00 0.00 C ATOM 562 C LEU A 36 49.718 7.960 3.673 1.00 0.00 C ATOM 563 O LEU A 36 49.343 9.015 4.148 1.00 0.00 O ATOM 564 CB LEU A 36 48.049 6.792 2.195 1.00 0.00 C ATOM 565 CG LEU A 36 47.748 6.331 0.761 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.279 4.874 0.775 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.647 7.210 0.157 1.00 0.00 C ATOM 0 H LEU A 36 50.405 5.713 2.154 1.00 0.00 H new ATOM 0 HA LEU A 36 49.308 8.489 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.109 5.929 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.237 7.420 2.562 1.00 0.00 H new ATOM 0 HG LEU A 36 48.654 6.417 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.066 4.550 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.061 4.244 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.376 4.788 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.436 6.881 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.743 7.127 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.978 8.248 0.141 1.00 0.00 H new ATOM 579 N GLU A 37 50.435 7.110 4.372 1.00 0.00 N ATOM 580 CA GLU A 37 50.815 7.419 5.783 1.00 0.00 C ATOM 581 C GLU A 37 52.332 7.607 5.897 1.00 0.00 C ATOM 582 O GLU A 37 53.038 7.639 4.910 1.00 0.00 O ATOM 583 CB GLU A 37 50.362 6.202 6.589 1.00 0.00 C ATOM 584 CG GLU A 37 49.944 6.646 7.993 1.00 0.00 C ATOM 585 CD GLU A 37 48.783 5.776 8.479 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.667 6.019 8.051 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.030 4.882 9.272 1.00 0.00 O ATOM 0 H GLU A 37 50.773 6.214 4.022 1.00 0.00 H new ATOM 0 HA GLU A 37 50.356 8.340 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.528 5.711 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 37 51.170 5.473 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.787 6.562 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.646 7.695 7.981 1.00 0.00 H new ATOM 594 N GLU A 38 52.830 7.727 7.105 1.00 0.00 N ATOM 595 CA GLU A 38 54.295 7.916 7.330 1.00 0.00 C ATOM 596 C GLU A 38 54.527 8.026 8.831 1.00 0.00 C ATOM 597 O GLU A 38 55.304 8.838 9.299 1.00 0.00 O ATOM 598 CB GLU A 38 54.680 9.230 6.630 1.00 0.00 C ATOM 599 CG GLU A 38 53.805 10.380 7.143 1.00 0.00 C ATOM 600 CD GLU A 38 54.520 11.711 6.905 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.995 11.917 5.800 1.00 0.00 O ATOM 602 OE2 GLU A 38 54.580 12.503 7.831 1.00 0.00 O ATOM 0 H GLU A 38 52.271 7.701 7.958 1.00 0.00 H new ATOM 0 HA GLU A 38 54.890 7.091 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.731 9.454 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.560 9.125 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.843 10.375 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.601 10.250 8.206 1.00 0.00 H new ATOM 609 N SER A 39 53.831 7.220 9.585 1.00 0.00 N ATOM 610 CA SER A 39 53.963 7.258 11.071 1.00 0.00 C ATOM 611 C SER A 39 55.414 7.037 11.487 1.00 0.00 C ATOM 612 O SER A 39 56.312 7.027 10.664 1.00 0.00 O ATOM 613 CB SER A 39 53.086 6.113 11.574 1.00 0.00 C ATOM 614 OG SER A 39 51.719 6.444 11.370 1.00 0.00 O ATOM 0 H SER A 39 53.169 6.529 9.232 1.00 0.00 H new ATOM 0 HA SER A 39 53.661 8.221 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.332 5.192 11.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.275 5.933 12.632 1.00 0.00 H new ATOM 0 HG SER A 39 51.153 5.710 11.690 1.00 0.00 H new ATOM 620 N ASN A 40 55.645 6.851 12.756 1.00 0.00 N ATOM 621 CA ASN A 40 57.033 6.623 13.238 1.00 0.00 C ATOM 622 C ASN A 40 57.311 5.123 13.339 1.00 0.00 C ATOM 623 O ASN A 40 58.151 4.700 14.113 1.00 0.00 O ATOM 624 CB ASN A 40 57.085 7.275 14.620 1.00 0.00 C ATOM 625 CG ASN A 40 58.539 7.367 15.086 1.00 0.00 C ATOM 626 OD1 ASN A 40 59.265 8.251 14.678 1.00 0.00 O ATOM 627 ND2 ASN A 40 58.998 6.484 15.931 1.00 0.00 N ATOM 0 H ASN A 40 54.929 6.847 13.482 1.00 0.00 H new ATOM 0 HA ASN A 40 57.781 7.041 12.565 1.00 0.00 H new ATOM 0 HB2 ASN A 40 56.641 8.270 14.582 1.00 0.00 H new ATOM 0 HB3 ASN A 40 56.500 6.692 15.331 1.00 0.00 H new ATOM 0 HD21 ASN A 40 59.966 6.537 16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 40 58.389 5.741 16.274 1.00 0.00 H new ATOM 634 N LEU A 41 56.622 4.311 12.565 1.00 0.00 N ATOM 635 CA LEU A 41 56.878 2.838 12.641 1.00 0.00 C ATOM 636 C LEU A 41 57.321 2.282 11.273 1.00 0.00 C ATOM 637 O LEU A 41 57.064 2.896 10.256 1.00 0.00 O ATOM 638 CB LEU A 41 55.563 2.193 13.095 1.00 0.00 C ATOM 639 CG LEU A 41 54.419 2.568 12.136 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.773 1.296 11.583 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.360 3.378 12.891 1.00 0.00 C ATOM 0 H LEU A 41 55.907 4.600 11.897 1.00 0.00 H new ATOM 0 HA LEU A 41 57.685 2.617 13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.676 1.109 13.130 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.320 2.521 14.106 1.00 0.00 H new ATOM 0 HG LEU A 41 54.822 3.162 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.963 1.565 10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.520 0.713 11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.375 0.703 12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.551 3.643 12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 52.963 2.782 13.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.812 4.287 13.288 1.00 0.00 H new ATOM 653 N PRO A 42 57.991 1.137 11.282 1.00 0.00 N ATOM 654 CA PRO A 42 58.477 0.529 10.018 1.00 0.00 C ATOM 655 C PRO A 42 57.324 0.265 9.041 1.00 0.00 C ATOM 656 O PRO A 42 57.447 0.502 7.855 1.00 0.00 O ATOM 657 CB PRO A 42 59.100 -0.790 10.492 1.00 0.00 C ATOM 658 CG PRO A 42 58.942 -0.894 12.019 1.00 0.00 C ATOM 659 CD PRO A 42 58.301 0.393 12.538 1.00 0.00 C ATOM 0 HA PRO A 42 59.172 1.172 9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.613 -1.634 10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.154 -0.829 10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.324 -1.754 12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.913 -1.048 12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.402 0.191 13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.980 0.952 13.182 1.00 0.00 H new ATOM 667 N TRP A 43 56.216 -0.235 9.526 1.00 0.00 N ATOM 668 CA TRP A 43 55.067 -0.533 8.615 1.00 0.00 C ATOM 669 C TRP A 43 54.319 0.757 8.266 1.00 0.00 C ATOM 670 O TRP A 43 54.406 1.745 8.967 1.00 0.00 O ATOM 671 CB TRP A 43 54.163 -1.482 9.406 1.00 0.00 C ATOM 672 CG TRP A 43 54.907 -2.728 9.749 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.637 -2.881 10.861 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.003 -3.984 9.015 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.184 -4.150 10.874 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.822 -4.871 9.755 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.470 -4.440 7.795 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.099 -6.162 9.304 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.748 -5.738 7.339 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.560 -6.598 8.091 1.00 0.00 C ATOM 0 H TRP A 43 56.056 -0.450 10.510 1.00 0.00 H new ATOM 0 HA TRP A 43 55.393 -0.975 7.674 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.817 -0.993 10.317 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.278 -1.727 8.820 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.776 -2.132 11.626 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.781 -4.509 11.619 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.843 -3.787 7.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.726 -6.820 9.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.333 -6.077 6.401 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.769 -7.596 7.734 1.00 0.00 H new ATOM 691 N TRP A 44 53.600 0.750 7.175 1.00 0.00 N ATOM 692 CA TRP A 44 52.853 1.969 6.749 1.00 0.00 C ATOM 693 C TRP A 44 51.423 1.619 6.338 1.00 0.00 C ATOM 694 O TRP A 44 50.953 0.518 6.530 1.00 0.00 O ATOM 695 CB TRP A 44 53.604 2.462 5.508 1.00 0.00 C ATOM 696 CG TRP A 44 54.668 3.467 5.834 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.960 3.992 7.050 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.569 4.095 4.894 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.006 4.892 6.904 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.413 4.988 5.585 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.729 3.960 3.509 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.389 5.731 4.919 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.703 4.700 2.831 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.535 5.587 3.533 1.00 0.00 C ATOM 0 H TRP A 44 53.498 -0.054 6.556 1.00 0.00 H new ATOM 0 HA TRP A 44 52.797 2.703 7.553 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.058 1.610 5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.893 2.905 4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.462 3.750 7.977 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.423 5.417 7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.095 3.279 2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.025 6.410 5.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.816 4.589 1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.286 6.157 3.006 1.00 0.00 H new ATOM 715 N ARG A 45 50.756 2.561 5.728 1.00 0.00 N ATOM 716 CA ARG A 45 49.376 2.330 5.228 1.00 0.00 C ATOM 717 C ARG A 45 49.327 2.843 3.785 1.00 0.00 C ATOM 718 O ARG A 45 48.789 3.895 3.502 1.00 0.00 O ATOM 719 CB ARG A 45 48.466 3.158 6.138 1.00 0.00 C ATOM 720 CG ARG A 45 47.760 2.236 7.135 1.00 0.00 C ATOM 721 CD ARG A 45 46.710 3.031 7.912 1.00 0.00 C ATOM 722 NE ARG A 45 46.140 2.062 8.889 1.00 0.00 N ATOM 723 CZ ARG A 45 45.884 2.442 10.112 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.781 3.085 10.377 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.732 2.178 11.067 1.00 0.00 N ATOM 0 H ARG A 45 51.119 3.498 5.553 1.00 0.00 H new ATOM 0 HA ARG A 45 49.070 1.284 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.052 3.906 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.730 3.696 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.287 1.407 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.486 1.803 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.157 3.886 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.939 3.422 7.248 1.00 0.00 H new ATOM 0 HE ARG A 45 45.950 1.102 8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.119 3.291 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.581 3.382 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 45 47.595 1.675 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.533 2.475 12.022 1.00 0.00 H new ATOM 739 N ALA A 46 49.931 2.114 2.881 1.00 0.00 N ATOM 740 CA ALA A 46 49.985 2.548 1.453 1.00 0.00 C ATOM 741 C ALA A 46 49.089 1.656 0.590 1.00 0.00 C ATOM 742 O ALA A 46 48.651 0.607 1.024 1.00 0.00 O ATOM 743 CB ALA A 46 51.463 2.381 1.063 1.00 0.00 C ATOM 0 H ALA A 46 50.394 1.226 3.075 1.00 0.00 H new ATOM 0 HA ALA A 46 49.632 3.569 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.601 2.678 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.082 3.009 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.756 1.338 1.184 1.00 0.00 H new ATOM 749 N ARG A 47 48.815 2.061 -0.628 1.00 0.00 N ATOM 750 CA ARG A 47 47.949 1.227 -1.515 1.00 0.00 C ATOM 751 C ARG A 47 48.760 0.683 -2.689 1.00 0.00 C ATOM 752 O ARG A 47 49.713 1.294 -3.129 1.00 0.00 O ATOM 753 CB ARG A 47 46.863 2.162 -2.036 1.00 0.00 C ATOM 754 CG ARG A 47 45.844 2.436 -0.935 1.00 0.00 C ATOM 755 CD ARG A 47 45.210 3.813 -1.153 1.00 0.00 C ATOM 756 NE ARG A 47 44.108 3.580 -2.128 1.00 0.00 N ATOM 757 CZ ARG A 47 43.645 4.571 -2.841 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.449 5.737 -2.288 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.379 4.395 -4.106 1.00 0.00 N ATOM 0 H ARG A 47 49.153 2.929 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 47 47.533 0.376 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.308 3.098 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.369 1.715 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.074 1.665 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.329 2.398 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.829 4.225 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.937 4.525 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 47 43.715 2.645 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.658 5.874 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.087 6.511 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.533 3.484 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.017 5.169 -4.664 1.00 0.00 H new ATOM 773 N ASP A 48 48.379 -0.455 -3.204 1.00 0.00 N ATOM 774 CA ASP A 48 49.118 -1.042 -4.357 1.00 0.00 C ATOM 775 C ASP A 48 48.498 -0.574 -5.680 1.00 0.00 C ATOM 776 O ASP A 48 47.804 0.424 -5.729 1.00 0.00 O ATOM 777 CB ASP A 48 48.974 -2.562 -4.186 1.00 0.00 C ATOM 778 CG ASP A 48 47.495 -2.980 -4.235 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.640 -2.113 -4.137 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.246 -4.166 -4.371 1.00 0.00 O ATOM 0 H ASP A 48 47.585 -1.004 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 48 50.164 -0.736 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.528 -3.075 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.412 -2.869 -3.236 1.00 0.00 H new ATOM 785 N LYS A 49 48.747 -1.288 -6.749 1.00 0.00 N ATOM 786 CA LYS A 49 48.180 -0.890 -8.074 1.00 0.00 C ATOM 787 C LYS A 49 46.711 -1.330 -8.202 1.00 0.00 C ATOM 788 O LYS A 49 46.023 -0.931 -9.123 1.00 0.00 O ATOM 789 CB LYS A 49 49.046 -1.613 -9.112 1.00 0.00 C ATOM 790 CG LYS A 49 50.005 -0.619 -9.772 1.00 0.00 C ATOM 791 CD LYS A 49 51.256 -0.462 -8.905 1.00 0.00 C ATOM 792 CE LYS A 49 51.944 0.865 -9.235 1.00 0.00 C ATOM 793 NZ LYS A 49 52.342 0.746 -10.666 1.00 0.00 N ATOM 0 H LYS A 49 49.320 -2.132 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 49 48.191 0.192 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.610 -2.414 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.412 -2.077 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.281 -0.970 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.514 0.346 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.986 -0.491 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 49 51.940 -1.292 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 51.270 1.708 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.812 1.030 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.093 1.435 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.693 -0.216 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.519 0.936 -11.272 1.00 0.00 H new ATOM 807 N ASN A 50 46.227 -2.146 -7.294 1.00 0.00 N ATOM 808 CA ASN A 50 44.812 -2.607 -7.374 1.00 0.00 C ATOM 809 C ASN A 50 43.870 -1.646 -6.633 1.00 0.00 C ATOM 810 O ASN A 50 42.742 -1.991 -6.332 1.00 0.00 O ATOM 811 CB ASN A 50 44.809 -3.980 -6.702 1.00 0.00 C ATOM 812 CG ASN A 50 45.409 -5.016 -7.653 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.205 -4.952 -8.849 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.150 -5.977 -7.169 1.00 0.00 N ATOM 0 H ASN A 50 46.756 -2.511 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 50 44.459 -2.646 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.384 -3.945 -5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.791 -4.263 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.556 -6.672 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.322 -6.032 -6.165 1.00 0.00 H new ATOM 821 N GLY A 51 44.314 -0.446 -6.340 1.00 0.00 N ATOM 822 CA GLY A 51 43.437 0.529 -5.624 1.00 0.00 C ATOM 823 C GLY A 51 43.061 -0.026 -4.248 1.00 0.00 C ATOM 824 O GLY A 51 42.009 0.275 -3.717 1.00 0.00 O ATOM 0 H GLY A 51 45.247 -0.102 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.953 1.483 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.537 0.719 -6.208 1.00 0.00 H new ATOM 828 N GLN A 52 43.915 -0.831 -3.669 1.00 0.00 N ATOM 829 CA GLN A 52 43.615 -1.408 -2.324 1.00 0.00 C ATOM 830 C GLN A 52 44.641 -0.919 -1.299 1.00 0.00 C ATOM 831 O GLN A 52 45.832 -0.946 -1.541 1.00 0.00 O ATOM 832 CB GLN A 52 43.725 -2.922 -2.511 1.00 0.00 C ATOM 833 CG GLN A 52 42.360 -3.489 -2.908 1.00 0.00 C ATOM 834 CD GLN A 52 42.255 -4.942 -2.441 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.168 -5.721 -2.631 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.172 -5.342 -1.834 1.00 0.00 N ATOM 0 H GLN A 52 44.809 -1.114 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 52 42.632 -1.112 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.463 -3.151 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.070 -3.389 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.563 -2.894 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.232 -3.433 -3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.406 -4.688 -1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.091 -6.309 -1.519 1.00 0.00 H new ATOM 845 N GLU A 53 44.184 -0.471 -0.157 1.00 0.00 N ATOM 846 CA GLU A 53 45.126 0.024 0.893 1.00 0.00 C ATOM 847 C GLU A 53 45.428 -1.088 1.900 1.00 0.00 C ATOM 848 O GLU A 53 44.606 -1.952 2.143 1.00 0.00 O ATOM 849 CB GLU A 53 44.395 1.192 1.570 1.00 0.00 C ATOM 850 CG GLU A 53 43.088 0.703 2.217 1.00 0.00 C ATOM 851 CD GLU A 53 41.908 1.536 1.706 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.436 1.252 0.618 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.499 2.442 2.414 1.00 0.00 O ATOM 0 H GLU A 53 43.196 -0.427 0.094 1.00 0.00 H new ATOM 0 HA GLU A 53 46.083 0.337 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.037 1.641 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.177 1.968 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.929 -0.350 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.157 0.782 3.302 1.00 0.00 H new ATOM 860 N GLY A 54 46.597 -1.068 2.491 1.00 0.00 N ATOM 861 CA GLY A 54 46.948 -2.119 3.488 1.00 0.00 C ATOM 862 C GLY A 54 48.272 -1.747 4.143 1.00 0.00 C ATOM 863 O GLY A 54 48.617 -0.584 4.218 1.00 0.00 O ATOM 0 H GLY A 54 47.321 -0.369 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.164 -2.203 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.027 -3.091 3.001 1.00 0.00 H new ATOM 867 N TYR A 55 49.014 -2.712 4.624 1.00 0.00 N ATOM 868 CA TYR A 55 50.310 -2.379 5.280 1.00 0.00 C ATOM 869 C TYR A 55 51.500 -2.621 4.346 1.00 0.00 C ATOM 870 O TYR A 55 51.464 -3.459 3.467 1.00 0.00 O ATOM 871 CB TYR A 55 50.394 -3.280 6.513 1.00 0.00 C ATOM 872 CG TYR A 55 49.474 -2.751 7.587 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.086 -2.828 7.419 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.008 -2.184 8.750 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.233 -2.338 8.415 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.154 -1.694 9.746 1.00 0.00 C ATOM 877 CZ TYR A 55 47.767 -1.771 9.579 1.00 0.00 C ATOM 878 OH TYR A 55 46.926 -1.288 10.560 1.00 0.00 O ATOM 0 H TYR A 55 48.781 -3.704 4.591 1.00 0.00 H new ATOM 0 HA TYR A 55 50.351 -1.323 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.115 -4.300 6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.419 -3.315 6.882 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.674 -3.265 6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.079 -2.124 8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.162 -2.397 8.286 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.566 -1.257 10.643 1.00 0.00 H new ATOM 0 HH TYR A 55 47.459 -0.929 11.300 1.00 0.00 H new ATOM 888 N ILE A 56 52.553 -1.870 4.542 1.00 0.00 N ATOM 889 CA ILE A 56 53.775 -2.003 3.693 1.00 0.00 C ATOM 890 C ILE A 56 55.027 -1.764 4.577 1.00 0.00 C ATOM 891 O ILE A 56 55.251 -0.643 4.992 1.00 0.00 O ATOM 892 CB ILE A 56 53.618 -0.886 2.637 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.643 -1.346 1.553 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.959 -0.543 1.978 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.224 -0.918 1.920 1.00 0.00 C ATOM 0 H ILE A 56 52.618 -1.157 5.268 1.00 0.00 H new ATOM 0 HA ILE A 56 53.889 -2.984 3.231 1.00 0.00 H new ATOM 0 HB ILE A 56 53.242 0.003 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.925 -0.917 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.690 -2.430 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.811 0.246 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.661 -0.202 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.360 -1.429 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.532 -1.248 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.943 -1.368 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.182 0.168 2.005 1.00 0.00 H new ATOM 907 N PRO A 57 55.822 -2.794 4.842 1.00 0.00 N ATOM 908 CA PRO A 57 57.038 -2.597 5.673 1.00 0.00 C ATOM 909 C PRO A 57 57.973 -1.581 4.998 1.00 0.00 C ATOM 910 O PRO A 57 58.241 -1.664 3.815 1.00 0.00 O ATOM 911 CB PRO A 57 57.660 -3.996 5.710 1.00 0.00 C ATOM 912 CG PRO A 57 56.774 -4.953 4.891 1.00 0.00 C ATOM 913 CD PRO A 57 55.568 -4.175 4.351 1.00 0.00 C ATOM 0 HA PRO A 57 56.837 -2.203 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.669 -3.972 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.743 -4.345 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.344 -5.383 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.439 -5.782 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.515 -4.214 3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.627 -4.573 4.730 1.00 0.00 H new ATOM 921 N SER A 58 58.451 -0.619 5.742 1.00 0.00 N ATOM 922 CA SER A 58 59.352 0.425 5.154 1.00 0.00 C ATOM 923 C SER A 58 60.597 -0.209 4.526 1.00 0.00 C ATOM 924 O SER A 58 60.958 0.097 3.405 1.00 0.00 O ATOM 925 CB SER A 58 59.749 1.321 6.328 1.00 0.00 C ATOM 926 OG SER A 58 60.814 2.174 5.929 1.00 0.00 O ATOM 0 H SER A 58 58.257 -0.508 6.737 1.00 0.00 H new ATOM 0 HA SER A 58 58.853 0.980 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.894 1.915 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.055 0.712 7.178 1.00 0.00 H new ATOM 0 HG SER A 58 61.070 2.751 6.679 1.00 0.00 H new ATOM 932 N ASN A 59 61.260 -1.078 5.244 1.00 0.00 N ATOM 933 CA ASN A 59 62.494 -1.725 4.699 1.00 0.00 C ATOM 934 C ASN A 59 62.172 -2.497 3.416 1.00 0.00 C ATOM 935 O ASN A 59 62.932 -2.499 2.466 1.00 0.00 O ATOM 936 CB ASN A 59 62.975 -2.666 5.819 1.00 0.00 C ATOM 937 CG ASN A 59 62.040 -3.875 5.973 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.257 -4.906 5.368 1.00 0.00 O ATOM 939 ND2 ASN A 59 61.006 -3.788 6.765 1.00 0.00 N ATOM 0 H ASN A 59 61.001 -1.369 6.187 1.00 0.00 H new ATOM 0 HA ASN A 59 63.262 -1.000 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.985 -3.011 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.024 -2.119 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.380 -4.586 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.824 -2.922 7.273 1.00 0.00 H new ATOM 946 N TYR A 60 61.053 -3.160 3.404 1.00 0.00 N ATOM 947 CA TYR A 60 60.655 -3.957 2.202 1.00 0.00 C ATOM 948 C TYR A 60 60.501 -3.058 0.970 1.00 0.00 C ATOM 949 O TYR A 60 60.902 -3.428 -0.118 1.00 0.00 O ATOM 950 CB TYR A 60 59.311 -4.594 2.563 1.00 0.00 C ATOM 951 CG TYR A 60 59.537 -5.993 3.087 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.934 -6.188 4.415 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.346 -7.096 2.244 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.143 -7.485 4.900 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.554 -8.391 2.730 1.00 0.00 C ATOM 956 CZ TYR A 60 59.952 -8.587 4.057 1.00 0.00 C ATOM 957 OH TYR A 60 60.157 -9.865 4.536 1.00 0.00 O ATOM 0 H TYR A 60 60.389 -3.188 4.178 1.00 0.00 H new ATOM 0 HA TYR A 60 61.410 -4.702 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.802 -3.991 3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.664 -4.623 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.079 -5.338 5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.038 -6.946 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.451 -7.635 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.407 -9.241 2.080 1.00 0.00 H new ATOM 0 HH TYR A 60 59.980 -10.514 3.823 1.00 0.00 H new ATOM 967 N VAL A 61 59.917 -1.894 1.122 1.00 0.00 N ATOM 968 CA VAL A 61 59.734 -0.995 -0.064 1.00 0.00 C ATOM 969 C VAL A 61 60.750 0.147 -0.070 1.00 0.00 C ATOM 970 O VAL A 61 61.414 0.416 0.912 1.00 0.00 O ATOM 971 CB VAL A 61 58.316 -0.422 0.042 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.295 -1.557 -0.067 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.141 0.297 1.386 1.00 0.00 C ATOM 0 H VAL A 61 59.562 -1.529 2.006 1.00 0.00 H new ATOM 0 HA VAL A 61 59.883 -1.557 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 61 58.158 0.290 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.287 -1.148 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.412 -2.060 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.458 -2.272 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.131 0.701 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.305 -0.409 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.863 1.110 1.460 1.00 0.00 H new ATOM 983 N THR A 62 60.850 0.829 -1.181 1.00 0.00 N ATOM 984 CA THR A 62 61.793 1.977 -1.294 1.00 0.00 C ATOM 985 C THR A 62 61.119 3.091 -2.114 1.00 0.00 C ATOM 986 O THR A 62 59.930 3.306 -1.993 1.00 0.00 O ATOM 987 CB THR A 62 63.034 1.407 -1.998 1.00 0.00 C ATOM 988 OG1 THR A 62 64.009 2.431 -2.131 1.00 0.00 O ATOM 989 CG2 THR A 62 62.658 0.878 -3.384 1.00 0.00 C ATOM 0 H THR A 62 60.311 0.635 -2.025 1.00 0.00 H new ATOM 0 HA THR A 62 62.069 2.415 -0.335 1.00 0.00 H new ATOM 0 HB THR A 62 63.437 0.587 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.803 2.071 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.545 0.477 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.912 0.090 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.249 1.690 -3.985 1.00 0.00 H new ATOM 997 N GLU A 63 61.849 3.794 -2.944 1.00 0.00 N ATOM 998 CA GLU A 63 61.224 4.876 -3.762 1.00 0.00 C ATOM 999 C GLU A 63 60.635 4.286 -5.047 1.00 0.00 C ATOM 1000 O GLU A 63 61.217 3.413 -5.661 1.00 0.00 O ATOM 1001 CB GLU A 63 62.360 5.846 -4.084 1.00 0.00 C ATOM 1002 CG GLU A 63 61.806 7.269 -4.183 1.00 0.00 C ATOM 1003 CD GLU A 63 62.780 8.142 -4.976 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.925 8.243 -4.565 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.366 8.696 -5.981 1.00 0.00 O ATOM 0 H GLU A 63 62.850 3.665 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 63 60.409 5.374 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.125 5.796 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.837 5.564 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 63 60.831 7.258 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.659 7.683 -3.186 1.00 0.00 H new ATOM 1012 N ALA A 64 59.480 4.755 -5.453 1.00 0.00 N ATOM 1013 CA ALA A 64 58.834 4.219 -6.696 1.00 0.00 C ATOM 1014 C ALA A 64 59.800 4.283 -7.886 1.00 0.00 C ATOM 1015 O ALA A 64 60.705 5.096 -7.917 1.00 0.00 O ATOM 1016 CB ALA A 64 57.629 5.126 -6.942 1.00 0.00 C ATOM 0 H ALA A 64 58.954 5.488 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 64 58.548 3.173 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.103 4.797 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.955 5.076 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.968 6.153 -7.077 1.00 0.00 H new ATOM 1022 N GLU A 65 59.611 3.429 -8.861 1.00 0.00 N ATOM 1023 CA GLU A 65 60.515 3.433 -10.052 1.00 0.00 C ATOM 1024 C GLU A 65 60.104 4.542 -11.025 1.00 0.00 C ATOM 1025 O GLU A 65 58.979 5.006 -11.011 1.00 0.00 O ATOM 1026 CB GLU A 65 60.328 2.058 -10.698 1.00 0.00 C ATOM 1027 CG GLU A 65 61.466 1.129 -10.269 1.00 0.00 C ATOM 1028 CD GLU A 65 60.952 -0.310 -10.197 1.00 0.00 C ATOM 1029 OE1 GLU A 65 59.818 -0.493 -9.786 1.00 0.00 O ATOM 1030 OE2 GLU A 65 61.700 -1.204 -10.555 1.00 0.00 O ATOM 0 H GLU A 65 58.869 2.729 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 65 61.554 3.618 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.368 1.634 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.313 2.154 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 65 62.291 1.196 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.854 1.437 -9.298 1.00 0.00 H new ATOM 1037 N ASP A 66 61.010 4.967 -11.868 1.00 0.00 N ATOM 1038 CA ASP A 66 60.683 6.046 -12.847 1.00 0.00 C ATOM 1039 C ASP A 66 61.066 5.609 -14.263 1.00 0.00 C ATOM 1040 O ASP A 66 60.318 5.799 -15.204 1.00 0.00 O ATOM 1041 CB ASP A 66 61.524 7.246 -12.409 1.00 0.00 C ATOM 1042 CG ASP A 66 60.906 7.875 -11.160 1.00 0.00 C ATOM 1043 OD1 ASP A 66 59.751 8.264 -11.226 1.00 0.00 O ATOM 1044 OD2 ASP A 66 61.597 7.958 -10.159 1.00 0.00 O ATOM 0 H ASP A 66 61.965 4.612 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 66 59.618 6.279 -12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 66 62.547 6.930 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 66 61.574 7.981 -13.212 1.00 0.00 H new ATOM 1049 N SER A 67 62.228 5.025 -14.418 1.00 0.00 N ATOM 1050 CA SER A 67 62.670 4.572 -15.771 1.00 0.00 C ATOM 1051 C SER A 67 62.241 3.122 -16.008 1.00 0.00 C ATOM 1052 O SER A 67 62.420 2.646 -17.118 1.00 0.00 O ATOM 1053 CB SER A 67 64.194 4.683 -15.746 1.00 0.00 C ATOM 1054 OG SER A 67 64.692 4.612 -17.076 1.00 0.00 O ATOM 1055 OXT SER A 67 61.741 2.512 -15.078 1.00 0.00 O ATOM 0 H SER A 67 62.890 4.842 -13.664 1.00 0.00 H new ATOM 0 HA SER A 67 62.231 5.168 -16.571 1.00 0.00 H new ATOM 0 HB2 SER A 67 64.494 5.623 -15.283 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.619 3.880 -15.143 1.00 0.00 H new ATOM 0 HG SER A 67 64.098 4.051 -17.618 1.00 0.00 H new TER 1061 SER A 67