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+ -139:sc= 0.0406 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.307 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 24:sc= 0.734 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -143:sc= -0.61 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -168:sc= 0 (180deg=-0.00488) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 59:sc= -3.85! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.764 X(o=-0.76,f=-1.2) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 11:sc=-0.00513 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.89! C(o=-3.1!,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -125:sc= 0.442 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.638 18.205 9.752 1.00 0.00 N ATOM 2 CA GLY A 1 38.596 17.781 8.774 1.00 0.00 C ATOM 3 C GLY A 1 39.021 16.470 8.110 1.00 0.00 C ATOM 4 O GLY A 1 39.645 15.627 8.727 1.00 0.00 O ATOM 0 H1 GLY A 1 39.180 18.570 10.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 40.235 17.390 9.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.227 18.951 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.639 17.651 9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.455 18.554 8.019 1.00 0.00 H new ATOM 10 N SER A 2 38.685 16.295 6.857 1.00 0.00 N ATOM 11 CA SER A 2 39.063 15.040 6.142 1.00 0.00 C ATOM 12 C SER A 2 39.868 15.371 4.883 1.00 0.00 C ATOM 13 O SER A 2 39.322 15.492 3.802 1.00 0.00 O ATOM 14 CB SER A 2 37.737 14.379 5.772 1.00 0.00 C ATOM 15 OG SER A 2 36.885 15.342 5.167 1.00 0.00 O ATOM 0 H SER A 2 38.164 16.970 6.297 1.00 0.00 H new ATOM 0 HA SER A 2 39.686 14.388 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.910 13.549 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.263 13.965 6.662 1.00 0.00 H new ATOM 0 HG SER A 2 37.312 15.695 4.359 1.00 0.00 H new ATOM 21 N MET A 3 41.162 15.520 5.016 1.00 0.00 N ATOM 22 CA MET A 3 42.012 15.843 3.833 1.00 0.00 C ATOM 23 C MET A 3 42.855 14.628 3.439 1.00 0.00 C ATOM 24 O MET A 3 43.752 14.227 4.156 1.00 0.00 O ATOM 25 CB MET A 3 42.908 16.993 4.291 1.00 0.00 C ATOM 26 CG MET A 3 42.054 18.234 4.554 1.00 0.00 C ATOM 27 SD MET A 3 43.122 19.694 4.646 1.00 0.00 S ATOM 28 CE MET A 3 43.167 19.828 6.450 1.00 0.00 C ATOM 0 H MET A 3 41.667 15.431 5.898 1.00 0.00 H new ATOM 0 HA MET A 3 41.418 16.113 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 3 43.446 16.710 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 3 43.657 17.209 3.530 1.00 0.00 H new ATOM 0 HG2 MET A 3 41.319 18.358 3.759 1.00 0.00 H new ATOM 0 HG3 MET A 3 41.500 18.116 5.485 1.00 0.00 H new ATOM 0 HE1 MET A 3 43.783 20.680 6.736 1.00 0.00 H new ATOM 0 HE2 MET A 3 42.155 19.968 6.830 1.00 0.00 H new ATOM 0 HE3 MET A 3 43.590 18.916 6.872 1.00 0.00 H new ATOM 38 N SER A 4 42.573 14.043 2.302 1.00 0.00 N ATOM 39 CA SER A 4 43.354 12.852 1.852 1.00 0.00 C ATOM 40 C SER A 4 44.125 13.179 0.570 1.00 0.00 C ATOM 41 O SER A 4 43.878 14.183 -0.068 1.00 0.00 O ATOM 42 CB SER A 4 42.308 11.770 1.586 1.00 0.00 C ATOM 43 OG SER A 4 41.942 11.159 2.817 1.00 0.00 O ATOM 0 H SER A 4 41.834 14.340 1.665 1.00 0.00 H new ATOM 0 HA SER A 4 44.088 12.536 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 4 41.431 12.206 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 4 42.707 11.023 0.900 1.00 0.00 H new ATOM 0 HG SER A 4 41.270 10.465 2.651 1.00 0.00 H new ATOM 49 N THR A 5 45.060 12.333 0.199 1.00 0.00 N ATOM 50 CA THR A 5 45.880 12.555 -1.045 1.00 0.00 C ATOM 51 C THR A 5 46.350 14.013 -1.161 1.00 0.00 C ATOM 52 O THR A 5 45.804 14.790 -1.921 1.00 0.00 O ATOM 53 CB THR A 5 44.962 12.185 -2.218 1.00 0.00 C ATOM 54 OG1 THR A 5 43.831 13.043 -2.235 1.00 0.00 O ATOM 55 CG2 THR A 5 44.502 10.733 -2.075 1.00 0.00 C ATOM 0 H THR A 5 45.295 11.484 0.712 1.00 0.00 H new ATOM 0 HA THR A 5 46.785 11.948 -1.030 1.00 0.00 H new ATOM 0 HB THR A 5 45.513 12.299 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 5 44.051 13.883 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 5 43.850 10.474 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 5 45.371 10.075 -2.075 1.00 0.00 H new ATOM 0 HG23 THR A 5 43.957 10.615 -1.139 1.00 0.00 H new ATOM 63 N SER A 6 47.359 14.381 -0.413 1.00 0.00 N ATOM 64 CA SER A 6 47.872 15.783 -0.472 1.00 0.00 C ATOM 65 C SER A 6 49.247 15.815 -1.145 1.00 0.00 C ATOM 66 O SER A 6 50.255 16.066 -0.512 1.00 0.00 O ATOM 67 CB SER A 6 47.973 16.228 0.986 1.00 0.00 C ATOM 68 OG SER A 6 46.704 16.699 1.423 1.00 0.00 O ATOM 0 H SER A 6 47.851 13.769 0.238 1.00 0.00 H new ATOM 0 HA SER A 6 47.222 16.438 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.300 15.396 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 48.720 17.015 1.087 1.00 0.00 H new ATOM 0 HG SER A 6 46.765 16.984 2.359 1.00 0.00 H new ATOM 74 N GLU A 7 49.296 15.561 -2.433 1.00 0.00 N ATOM 75 CA GLU A 7 50.603 15.571 -3.172 1.00 0.00 C ATOM 76 C GLU A 7 51.628 14.663 -2.480 1.00 0.00 C ATOM 77 O GLU A 7 52.748 15.062 -2.222 1.00 0.00 O ATOM 78 CB GLU A 7 51.073 17.029 -3.148 1.00 0.00 C ATOM 79 CG GLU A 7 50.384 17.807 -4.270 1.00 0.00 C ATOM 80 CD GLU A 7 51.019 17.437 -5.612 1.00 0.00 C ATOM 81 OE1 GLU A 7 52.231 17.531 -5.717 1.00 0.00 O ATOM 82 OE2 GLU A 7 50.283 17.067 -6.512 1.00 0.00 O ATOM 0 H GLU A 7 48.482 15.346 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 7 50.492 15.196 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 7 50.842 17.481 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 7 52.155 17.075 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 7 49.318 17.578 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 7 50.478 18.879 -4.094 1.00 0.00 H new ATOM 89 N LEU A 8 51.247 13.447 -2.180 1.00 0.00 N ATOM 90 CA LEU A 8 52.191 12.506 -1.505 1.00 0.00 C ATOM 91 C LEU A 8 53.097 11.833 -2.540 1.00 0.00 C ATOM 92 O LEU A 8 53.192 12.272 -3.671 1.00 0.00 O ATOM 93 CB LEU A 8 51.296 11.469 -0.816 1.00 0.00 C ATOM 94 CG LEU A 8 51.266 11.733 0.694 1.00 0.00 C ATOM 95 CD1 LEU A 8 50.019 12.546 1.048 1.00 0.00 C ATOM 96 CD2 LEU A 8 51.233 10.400 1.444 1.00 0.00 C ATOM 0 H LEU A 8 50.321 13.065 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 8 52.844 13.014 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 8 50.286 11.518 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.670 10.464 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 8 52.157 12.292 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.999 12.733 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 8 50.041 13.496 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.128 11.989 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.212 10.587 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 8 50.342 9.842 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.121 9.820 1.194 1.00 0.00 H new ATOM 108 N LYS A 9 53.761 10.771 -2.158 1.00 0.00 N ATOM 109 CA LYS A 9 54.665 10.064 -3.113 1.00 0.00 C ATOM 110 C LYS A 9 54.359 8.563 -3.126 1.00 0.00 C ATOM 111 O LYS A 9 53.355 8.121 -2.601 1.00 0.00 O ATOM 112 CB LYS A 9 56.077 10.319 -2.582 1.00 0.00 C ATOM 113 CG LYS A 9 56.681 11.530 -3.296 1.00 0.00 C ATOM 114 CD LYS A 9 58.079 11.806 -2.739 1.00 0.00 C ATOM 115 CE LYS A 9 58.939 12.465 -3.820 1.00 0.00 C ATOM 116 NZ LYS A 9 58.815 13.928 -3.571 1.00 0.00 N ATOM 0 H LYS A 9 53.715 10.363 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 9 54.542 10.419 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.046 10.496 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.701 9.440 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.736 11.343 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.043 12.403 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 9 58.012 12.456 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.541 10.875 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.977 12.139 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.588 12.203 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.378 14.449 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 57.817 14.210 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.163 14.148 -2.616 1.00 0.00 H new ATOM 130 N LYS A 10 55.220 7.783 -3.726 1.00 0.00 N ATOM 131 CA LYS A 10 54.994 6.302 -3.786 1.00 0.00 C ATOM 132 C LYS A 10 56.275 5.558 -3.382 1.00 0.00 C ATOM 133 O LYS A 10 57.208 6.153 -2.879 1.00 0.00 O ATOM 134 CB LYS A 10 54.587 5.968 -5.241 1.00 0.00 C ATOM 135 CG LYS A 10 55.318 6.860 -6.255 1.00 0.00 C ATOM 136 CD LYS A 10 54.520 8.146 -6.476 1.00 0.00 C ATOM 137 CE LYS A 10 55.483 9.310 -6.723 1.00 0.00 C ATOM 138 NZ LYS A 10 54.834 10.126 -7.786 1.00 0.00 N ATOM 0 H LYS A 10 56.074 8.106 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 10 54.211 5.990 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.810 4.922 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.510 6.094 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.317 7.098 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.441 6.329 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.849 8.028 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.897 8.354 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.638 9.894 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.462 8.952 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.435 10.944 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.706 9.546 -8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.907 10.459 -7.451 1.00 0.00 H new ATOM 152 N VAL A 11 56.322 4.262 -3.590 1.00 0.00 N ATOM 153 CA VAL A 11 57.538 3.470 -3.204 1.00 0.00 C ATOM 154 C VAL A 11 57.604 2.178 -4.018 1.00 0.00 C ATOM 155 O VAL A 11 56.626 1.749 -4.593 1.00 0.00 O ATOM 156 CB VAL A 11 57.402 3.144 -1.705 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.753 4.383 -0.881 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.976 2.686 -1.370 1.00 0.00 C ATOM 0 H VAL A 11 55.570 3.717 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 11 58.450 4.035 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 11 58.088 2.332 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.657 4.153 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.778 4.684 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.074 5.196 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.906 2.462 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.271 3.479 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.736 1.792 -1.945 1.00 0.00 H new ATOM 168 N VAL A 12 58.755 1.560 -4.066 1.00 0.00 N ATOM 169 CA VAL A 12 58.906 0.295 -4.844 1.00 0.00 C ATOM 170 C VAL A 12 58.866 -0.907 -3.868 1.00 0.00 C ATOM 171 O VAL A 12 58.776 -0.737 -2.670 1.00 0.00 O ATOM 172 CB VAL A 12 60.281 0.476 -5.546 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.118 -0.810 -5.596 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.053 0.952 -6.977 1.00 0.00 C ATOM 0 H VAL A 12 59.602 1.880 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 12 58.118 0.100 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 12 60.836 1.205 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.064 -0.609 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.314 -1.157 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.572 -1.579 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.014 1.081 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.461 0.213 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.521 1.903 -6.964 1.00 0.00 H new ATOM 184 N ALA A 13 58.958 -2.109 -4.381 1.00 0.00 N ATOM 185 CA ALA A 13 58.955 -3.322 -3.505 1.00 0.00 C ATOM 186 C ALA A 13 60.296 -4.052 -3.647 1.00 0.00 C ATOM 187 O ALA A 13 60.887 -4.056 -4.711 1.00 0.00 O ATOM 188 CB ALA A 13 57.812 -4.186 -4.033 1.00 0.00 C ATOM 0 H ALA A 13 59.036 -2.304 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 13 58.823 -3.084 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.743 -5.099 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.875 -3.634 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.001 -4.443 -5.075 1.00 0.00 H new ATOM 194 N LEU A 14 60.798 -4.649 -2.587 1.00 0.00 N ATOM 195 CA LEU A 14 62.125 -5.347 -2.688 1.00 0.00 C ATOM 196 C LEU A 14 62.161 -6.663 -1.890 1.00 0.00 C ATOM 197 O LEU A 14 63.197 -7.297 -1.811 1.00 0.00 O ATOM 198 CB LEU A 14 63.143 -4.375 -2.074 1.00 0.00 C ATOM 199 CG LEU A 14 63.047 -2.989 -2.728 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.015 -2.035 -2.024 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.408 -3.085 -4.219 1.00 0.00 C ATOM 0 H LEU A 14 60.354 -4.683 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 14 62.332 -5.603 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.967 -4.288 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 64.151 -4.771 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 14 62.028 -2.614 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.952 -1.049 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.751 -1.962 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.032 -2.415 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 63.337 -2.097 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.426 -3.461 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 62.717 -3.765 -4.718 1.00 0.00 H new ATOM 213 N TYR A 15 61.075 -7.070 -1.276 1.00 0.00 N ATOM 214 CA TYR A 15 61.117 -8.335 -0.466 1.00 0.00 C ATOM 215 C TYR A 15 59.745 -9.010 -0.357 1.00 0.00 C ATOM 216 O TYR A 15 59.553 -9.890 0.457 1.00 0.00 O ATOM 217 CB TYR A 15 61.556 -7.858 0.904 1.00 0.00 C ATOM 218 CG TYR A 15 63.049 -7.626 0.909 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.925 -8.712 1.018 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.555 -6.325 0.806 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.309 -8.499 1.022 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.939 -6.111 0.811 1.00 0.00 C ATOM 223 CZ TYR A 15 65.815 -7.197 0.919 1.00 0.00 C ATOM 224 OH TYR A 15 67.179 -6.986 0.924 1.00 0.00 O ATOM 0 H TYR A 15 60.174 -6.592 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 15 61.774 -9.078 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 15 61.034 -6.937 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.291 -8.598 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.533 -9.715 1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.879 -5.487 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.985 -9.337 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.330 -5.108 0.731 1.00 0.00 H new ATOM 0 HH TYR A 15 67.362 -6.027 0.844 1.00 0.00 H new ATOM 234 N ASP A 16 58.810 -8.632 -1.190 1.00 0.00 N ATOM 235 CA ASP A 16 57.450 -9.241 -1.181 1.00 0.00 C ATOM 236 C ASP A 16 56.799 -9.197 0.213 1.00 0.00 C ATOM 237 O ASP A 16 57.454 -9.037 1.221 1.00 0.00 O ATOM 238 CB ASP A 16 57.684 -10.669 -1.638 1.00 0.00 C ATOM 239 CG ASP A 16 57.514 -10.778 -3.152 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.424 -10.386 -3.860 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.474 -11.253 -3.579 1.00 0.00 O ATOM 0 H ASP A 16 58.939 -7.906 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 16 56.757 -8.699 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.687 -10.989 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.983 -11.337 -1.138 1.00 0.00 H new ATOM 246 N TYR A 17 55.495 -9.330 0.266 1.00 0.00 N ATOM 247 CA TYR A 17 54.771 -9.299 1.579 1.00 0.00 C ATOM 248 C TYR A 17 53.281 -9.586 1.346 1.00 0.00 C ATOM 249 O TYR A 17 52.447 -8.706 1.448 1.00 0.00 O ATOM 250 CB TYR A 17 54.991 -7.877 2.135 1.00 0.00 C ATOM 251 CG TYR A 17 54.144 -7.641 3.370 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.122 -8.585 4.404 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.381 -6.471 3.475 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.337 -8.358 5.541 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.596 -6.245 4.611 1.00 0.00 C ATOM 256 CZ TYR A 17 52.574 -7.189 5.644 1.00 0.00 C ATOM 257 OH TYR A 17 51.802 -6.966 6.766 1.00 0.00 O ATOM 0 H TYR A 17 54.896 -9.460 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 17 55.134 -10.050 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.044 -7.737 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.740 -7.141 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.710 -9.487 4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.399 -5.742 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.320 -9.085 6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.008 -5.343 4.691 1.00 0.00 H new ATOM 0 HH TYR A 17 50.965 -6.528 6.505 1.00 0.00 H new ATOM 267 N MET A 18 52.948 -10.814 1.035 1.00 0.00 N ATOM 268 CA MET A 18 51.514 -11.170 0.793 1.00 0.00 C ATOM 269 C MET A 18 50.676 -10.881 2.051 1.00 0.00 C ATOM 270 O MET A 18 51.217 -10.830 3.139 1.00 0.00 O ATOM 271 CB MET A 18 51.515 -12.669 0.481 1.00 0.00 C ATOM 272 CG MET A 18 51.799 -12.880 -1.006 1.00 0.00 C ATOM 273 SD MET A 18 51.603 -14.633 -1.414 1.00 0.00 S ATOM 274 CE MET A 18 51.271 -14.420 -3.181 1.00 0.00 C ATOM 0 H MET A 18 53.607 -11.586 0.938 1.00 0.00 H new ATOM 0 HA MET A 18 51.080 -10.589 -0.021 1.00 0.00 H new ATOM 0 HB2 MET A 18 52.270 -13.176 1.082 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.552 -13.107 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 18 51.118 -12.277 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.810 -12.551 -1.244 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.116 -15.395 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.377 -13.810 -3.312 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.120 -13.926 -3.654 1.00 0.00 H new ATOM 284 N PRO A 19 49.378 -10.689 1.880 1.00 0.00 N ATOM 285 CA PRO A 19 48.507 -10.394 3.042 1.00 0.00 C ATOM 286 C PRO A 19 48.401 -11.610 3.967 1.00 0.00 C ATOM 287 O PRO A 19 48.645 -12.732 3.565 1.00 0.00 O ATOM 288 CB PRO A 19 47.156 -10.085 2.383 1.00 0.00 C ATOM 289 CG PRO A 19 47.308 -10.224 0.857 1.00 0.00 C ATOM 290 CD PRO A 19 48.713 -10.747 0.549 1.00 0.00 C ATOM 0 HA PRO A 19 48.878 -9.582 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.391 -10.769 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.832 -9.077 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.556 -10.907 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.149 -9.261 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.690 -11.761 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.224 -10.127 -0.187 1.00 0.00 H new ATOM 298 N MET A 20 48.029 -11.388 5.202 1.00 0.00 N ATOM 299 CA MET A 20 47.890 -12.520 6.167 1.00 0.00 C ATOM 300 C MET A 20 46.421 -12.670 6.564 1.00 0.00 C ATOM 301 O MET A 20 45.872 -13.755 6.560 1.00 0.00 O ATOM 302 CB MET A 20 48.731 -12.122 7.383 1.00 0.00 C ATOM 303 CG MET A 20 50.184 -11.899 6.954 1.00 0.00 C ATOM 304 SD MET A 20 51.295 -12.334 8.315 1.00 0.00 S ATOM 305 CE MET A 20 52.851 -12.087 7.426 1.00 0.00 C ATOM 0 H MET A 20 47.815 -10.467 5.585 1.00 0.00 H new ATOM 0 HA MET A 20 48.219 -13.470 5.746 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.331 -11.213 7.833 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.681 -12.902 8.143 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.412 -12.506 6.078 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.333 -10.858 6.668 1.00 0.00 H new ATOM 0 HE1 MET A 20 53.673 -12.503 8.009 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.802 -12.589 6.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 53.017 -11.021 7.273 1.00 0.00 H new ATOM 315 N ASN A 21 45.786 -11.578 6.899 1.00 0.00 N ATOM 316 CA ASN A 21 44.348 -11.627 7.294 1.00 0.00 C ATOM 317 C ASN A 21 43.523 -10.728 6.371 1.00 0.00 C ATOM 318 O ASN A 21 42.634 -11.182 5.677 1.00 0.00 O ATOM 319 CB ASN A 21 44.312 -11.100 8.729 1.00 0.00 C ATOM 320 CG ASN A 21 44.400 -12.275 9.705 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.398 -12.728 10.221 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.566 -12.791 9.984 1.00 0.00 N ATOM 0 H ASN A 21 46.205 -10.648 6.916 1.00 0.00 H new ATOM 0 HA ASN A 21 43.931 -12.631 7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.140 -10.412 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.393 -10.540 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.635 -13.574 10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.408 -12.412 9.551 1.00 0.00 H new ATOM 329 N ALA A 22 43.821 -9.455 6.360 1.00 0.00 N ATOM 330 CA ALA A 22 43.070 -8.506 5.483 1.00 0.00 C ATOM 331 C ALA A 22 43.770 -7.146 5.457 1.00 0.00 C ATOM 332 O ALA A 22 43.880 -6.514 4.423 1.00 0.00 O ATOM 333 CB ALA A 22 41.683 -8.385 6.118 1.00 0.00 C ATOM 0 H ALA A 22 44.556 -9.029 6.924 1.00 0.00 H new ATOM 0 HA ALA A 22 43.014 -8.855 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.071 -7.702 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.208 -9.366 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.780 -8.001 7.133 1.00 0.00 H new ATOM 339 N ASN A 23 44.246 -6.697 6.588 1.00 0.00 N ATOM 340 CA ASN A 23 44.950 -5.376 6.642 1.00 0.00 C ATOM 341 C ASN A 23 46.163 -5.371 5.733 1.00 0.00 C ATOM 342 O ASN A 23 46.340 -4.492 4.914 1.00 0.00 O ATOM 343 CB ASN A 23 45.435 -5.221 8.075 1.00 0.00 C ATOM 344 CG ASN A 23 44.391 -4.468 8.902 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.652 -3.386 9.389 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.212 -4.997 9.079 1.00 0.00 N ATOM 0 H ASN A 23 44.179 -7.187 7.480 1.00 0.00 H new ATOM 0 HA ASN A 23 44.281 -4.576 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.620 -6.202 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.382 -4.681 8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.508 -4.502 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.994 -5.905 8.670 1.00 0.00 H new ATOM 353 N ASP A 24 47.023 -6.331 5.921 1.00 0.00 N ATOM 354 CA ASP A 24 48.284 -6.400 5.127 1.00 0.00 C ATOM 355 C ASP A 24 48.029 -6.177 3.627 1.00 0.00 C ATOM 356 O ASP A 24 47.024 -6.602 3.088 1.00 0.00 O ATOM 357 CB ASP A 24 48.834 -7.805 5.381 1.00 0.00 C ATOM 358 CG ASP A 24 49.145 -7.979 6.872 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.437 -6.986 7.522 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.086 -9.104 7.340 1.00 0.00 O ATOM 0 H ASP A 24 46.905 -7.082 6.601 1.00 0.00 H new ATOM 0 HA ASP A 24 48.984 -5.619 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.108 -8.553 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.736 -7.964 4.791 1.00 0.00 H new ATOM 365 N LEU A 25 48.932 -5.502 2.963 1.00 0.00 N ATOM 366 CA LEU A 25 48.754 -5.230 1.506 1.00 0.00 C ATOM 367 C LEU A 25 49.513 -6.271 0.679 1.00 0.00 C ATOM 368 O LEU A 25 50.539 -6.776 1.095 1.00 0.00 O ATOM 369 CB LEU A 25 49.337 -3.828 1.297 1.00 0.00 C ATOM 370 CG LEU A 25 48.970 -3.323 -0.105 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.569 -2.704 -0.079 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.980 -2.264 -0.552 1.00 0.00 C ATOM 0 H LEU A 25 49.789 -5.126 3.370 1.00 0.00 H new ATOM 0 HA LEU A 25 47.712 -5.285 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.950 -3.145 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.420 -3.852 1.414 1.00 0.00 H new ATOM 0 HG LEU A 25 48.987 -4.161 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.311 -2.346 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.845 -3.456 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.553 -1.869 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.717 -1.907 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.965 -1.429 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.979 -2.700 -0.575 1.00 0.00 H new ATOM 384 N GLN A 26 49.012 -6.598 -0.485 1.00 0.00 N ATOM 385 CA GLN A 26 49.695 -7.614 -1.342 1.00 0.00 C ATOM 386 C GLN A 26 50.835 -6.971 -2.132 1.00 0.00 C ATOM 387 O GLN A 26 50.641 -6.463 -3.220 1.00 0.00 O ATOM 388 CB GLN A 26 48.610 -8.130 -2.290 1.00 0.00 C ATOM 389 CG GLN A 26 49.136 -9.345 -3.055 1.00 0.00 C ATOM 390 CD GLN A 26 48.057 -9.849 -4.017 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.072 -10.423 -3.596 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.203 -9.658 -5.299 1.00 0.00 N ATOM 0 H GLN A 26 48.158 -6.204 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 26 50.137 -8.416 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.718 -8.401 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.319 -7.345 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.036 -9.078 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.414 -10.135 -2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.030 -9.176 -5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.490 -9.990 -5.949 1.00 0.00 H new ATOM 401 N LEU A 27 52.024 -6.997 -1.588 1.00 0.00 N ATOM 402 CA LEU A 27 53.192 -6.395 -2.291 1.00 0.00 C ATOM 403 C LEU A 27 53.913 -7.461 -3.128 1.00 0.00 C ATOM 404 O LEU A 27 53.380 -8.523 -3.391 1.00 0.00 O ATOM 405 CB LEU A 27 54.086 -5.869 -1.166 1.00 0.00 C ATOM 406 CG LEU A 27 53.488 -4.579 -0.612 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.462 -4.917 0.472 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.603 -3.715 -0.016 1.00 0.00 C ATOM 0 H LEU A 27 52.236 -7.413 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 27 52.909 -5.604 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.171 -6.614 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.093 -5.686 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 27 52.996 -4.030 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.034 -3.996 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.669 -5.530 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.951 -5.466 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.177 -2.793 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.096 -4.261 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.331 -3.475 -0.791 1.00 0.00 H new ATOM 420 N ARG A 28 55.116 -7.176 -3.554 1.00 0.00 N ATOM 421 CA ARG A 28 55.889 -8.146 -4.384 1.00 0.00 C ATOM 422 C ARG A 28 57.332 -7.655 -4.528 1.00 0.00 C ATOM 423 O ARG A 28 57.819 -6.899 -3.710 1.00 0.00 O ATOM 424 CB ARG A 28 55.182 -8.156 -5.742 1.00 0.00 C ATOM 425 CG ARG A 28 55.148 -9.584 -6.293 1.00 0.00 C ATOM 426 CD ARG A 28 54.733 -9.554 -7.766 1.00 0.00 C ATOM 427 NE ARG A 28 54.668 -10.984 -8.175 1.00 0.00 N ATOM 428 CZ ARG A 28 54.784 -11.308 -9.434 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.761 -11.185 -10.236 1.00 0.00 N ATOM 430 NH2 ARG A 28 55.921 -11.755 -9.893 1.00 0.00 N ATOM 0 H ARG A 28 55.602 -6.300 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 28 55.927 -9.143 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.167 -7.771 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.702 -7.499 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 28 56.129 -10.048 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.447 -10.190 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.769 -9.062 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 55.455 -9.003 -8.369 1.00 0.00 H new ATOM 0 HE ARG A 28 54.533 -11.710 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.872 -10.836 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.851 -11.438 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 56.721 -11.852 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 28 56.010 -12.008 -10.877 1.00 0.00 H new ATOM 444 N LYS A 29 58.010 -8.068 -5.566 1.00 0.00 N ATOM 445 CA LYS A 29 59.413 -7.617 -5.775 1.00 0.00 C ATOM 446 C LYS A 29 59.535 -6.896 -7.119 1.00 0.00 C ATOM 447 O LYS A 29 59.225 -7.444 -8.160 1.00 0.00 O ATOM 448 CB LYS A 29 60.262 -8.892 -5.749 1.00 0.00 C ATOM 449 CG LYS A 29 61.735 -8.542 -5.984 1.00 0.00 C ATOM 450 CD LYS A 29 62.562 -9.826 -6.043 1.00 0.00 C ATOM 451 CE LYS A 29 63.782 -9.609 -6.942 1.00 0.00 C ATOM 452 NZ LYS A 29 64.305 -10.976 -7.216 1.00 0.00 N ATOM 0 H LYS A 29 57.649 -8.701 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 29 59.740 -6.913 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.148 -9.396 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.917 -9.585 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.843 -7.984 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.099 -7.899 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.882 -10.111 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.954 -10.645 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.507 -9.099 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.532 -8.991 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.144 -10.911 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.565 -11.434 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.572 -11.539 -7.693 1.00 0.00 H new ATOM 466 N GLY A 30 59.974 -5.664 -7.094 1.00 0.00 N ATOM 467 CA GLY A 30 60.111 -4.885 -8.357 1.00 0.00 C ATOM 468 C GLY A 30 58.861 -4.028 -8.568 1.00 0.00 C ATOM 469 O GLY A 30 58.904 -3.025 -9.255 1.00 0.00 O ATOM 0 H GLY A 30 60.244 -5.163 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.996 -4.250 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.247 -5.561 -9.201 1.00 0.00 H new ATOM 473 N ASP A 31 57.752 -4.406 -7.975 1.00 0.00 N ATOM 474 CA ASP A 31 56.506 -3.603 -8.138 1.00 0.00 C ATOM 475 C ASP A 31 56.589 -2.360 -7.254 1.00 0.00 C ATOM 476 O ASP A 31 57.543 -2.182 -6.526 1.00 0.00 O ATOM 477 CB ASP A 31 55.370 -4.519 -7.679 1.00 0.00 C ATOM 478 CG ASP A 31 54.839 -5.312 -8.874 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.446 -6.316 -9.209 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.835 -4.903 -9.434 1.00 0.00 O ATOM 0 H ASP A 31 57.660 -5.235 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 31 56.353 -3.267 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.727 -5.200 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.568 -3.928 -7.236 1.00 0.00 H new ATOM 485 N GLU A 32 55.606 -1.500 -7.309 1.00 0.00 N ATOM 486 CA GLU A 32 55.644 -0.269 -6.460 1.00 0.00 C ATOM 487 C GLU A 32 54.240 0.016 -5.924 1.00 0.00 C ATOM 488 O GLU A 32 53.280 -0.608 -6.337 1.00 0.00 O ATOM 489 CB GLU A 32 56.127 0.868 -7.374 1.00 0.00 C ATOM 490 CG GLU A 32 57.337 0.430 -8.214 1.00 0.00 C ATOM 491 CD GLU A 32 56.851 -0.210 -9.517 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.812 0.202 -10.008 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.528 -1.101 -10.004 1.00 0.00 O ATOM 0 H GLU A 32 54.781 -1.594 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 32 56.308 -0.378 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.316 1.177 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.395 1.735 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.971 1.289 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.945 -0.280 -7.653 1.00 0.00 H new ATOM 500 N TYR A 33 54.113 0.919 -4.981 1.00 0.00 N ATOM 501 CA TYR A 33 52.772 1.196 -4.394 1.00 0.00 C ATOM 502 C TYR A 33 52.553 2.692 -4.197 1.00 0.00 C ATOM 503 O TYR A 33 53.336 3.516 -4.628 1.00 0.00 O ATOM 504 CB TYR A 33 52.785 0.505 -3.025 1.00 0.00 C ATOM 505 CG TYR A 33 53.404 -0.869 -3.130 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.659 -1.937 -3.636 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.736 -1.058 -2.749 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.248 -3.196 -3.765 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.323 -2.317 -2.871 1.00 0.00 C ATOM 510 CZ TYR A 33 54.580 -3.386 -3.382 1.00 0.00 C ATOM 511 OH TYR A 33 55.161 -4.621 -3.522 1.00 0.00 O ATOM 0 H TYR A 33 54.879 1.472 -4.596 1.00 0.00 H new ATOM 0 HA TYR A 33 51.976 0.838 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.346 1.109 -2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.767 0.423 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.629 -1.789 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.310 -0.230 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.676 -4.022 -4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.350 -2.466 -2.571 1.00 0.00 H new ATOM 0 HH TYR A 33 55.130 -4.893 -4.463 1.00 0.00 H new ATOM 521 N PHE A 34 51.492 3.033 -3.518 1.00 0.00 N ATOM 522 CA PHE A 34 51.186 4.463 -3.244 1.00 0.00 C ATOM 523 C PHE A 34 51.189 4.700 -1.735 1.00 0.00 C ATOM 524 O PHE A 34 50.513 4.014 -0.994 1.00 0.00 O ATOM 525 CB PHE A 34 49.790 4.693 -3.816 1.00 0.00 C ATOM 526 CG PHE A 34 49.899 5.140 -5.254 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.247 4.218 -6.249 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.652 6.476 -5.592 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.347 4.633 -7.582 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.753 6.891 -6.926 1.00 0.00 C ATOM 531 CZ PHE A 34 50.101 5.969 -7.921 1.00 0.00 C ATOM 0 H PHE A 34 50.816 2.371 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 34 51.916 5.140 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.205 3.776 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.265 5.447 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.438 3.188 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.384 7.187 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.614 3.922 -8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.563 7.922 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.180 6.288 -8.950 1.00 0.00 H new ATOM 541 N ILE A 35 51.952 5.655 -1.278 1.00 0.00 N ATOM 542 CA ILE A 35 52.014 5.925 0.187 1.00 0.00 C ATOM 543 C ILE A 35 50.989 6.980 0.593 1.00 0.00 C ATOM 544 O ILE A 35 50.882 8.031 -0.010 1.00 0.00 O ATOM 545 CB ILE A 35 53.440 6.427 0.440 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.450 5.334 0.059 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.618 6.795 1.919 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.205 4.068 0.890 1.00 0.00 C ATOM 0 H ILE A 35 52.535 6.260 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 35 51.783 5.035 0.773 1.00 0.00 H new ATOM 0 HB ILE A 35 53.614 7.313 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.362 5.103 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.465 5.694 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.635 7.150 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.911 7.580 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.435 5.916 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.928 3.303 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.316 4.301 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.196 3.700 0.703 1.00 0.00 H new ATOM 560 N LEU A 36 50.254 6.704 1.636 1.00 0.00 N ATOM 561 CA LEU A 36 49.247 7.677 2.131 1.00 0.00 C ATOM 562 C LEU A 36 49.800 8.365 3.376 1.00 0.00 C ATOM 563 O LEU A 36 49.682 9.562 3.542 1.00 0.00 O ATOM 564 CB LEU A 36 48.016 6.840 2.479 1.00 0.00 C ATOM 565 CG LEU A 36 47.494 6.145 1.220 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.890 4.789 1.598 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.420 7.019 0.566 1.00 0.00 C ATOM 0 H LEU A 36 50.311 5.836 2.169 1.00 0.00 H new ATOM 0 HA LEU A 36 49.005 8.450 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.270 6.099 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.240 7.476 2.904 1.00 0.00 H new ATOM 0 HG LEU A 36 48.316 5.993 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.518 4.294 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.654 4.168 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.067 4.939 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.046 6.526 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.598 7.170 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.850 7.984 0.297 1.00 0.00 H new ATOM 579 N GLU A 37 50.418 7.602 4.247 1.00 0.00 N ATOM 580 CA GLU A 37 51.008 8.177 5.500 1.00 0.00 C ATOM 581 C GLU A 37 51.667 7.061 6.314 1.00 0.00 C ATOM 582 O GLU A 37 51.043 6.057 6.607 1.00 0.00 O ATOM 583 CB GLU A 37 49.834 8.766 6.297 1.00 0.00 C ATOM 584 CG GLU A 37 50.362 9.448 7.561 1.00 0.00 C ATOM 585 CD GLU A 37 50.627 10.927 7.271 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.666 11.663 7.120 1.00 0.00 O ATOM 587 OE2 GLU A 37 51.789 11.297 7.205 1.00 0.00 O ATOM 0 H GLU A 37 50.540 6.595 4.142 1.00 0.00 H new ATOM 0 HA GLU A 37 51.761 8.933 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.290 9.485 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.131 7.977 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.638 9.349 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 37 51.279 8.962 7.893 1.00 0.00 H new ATOM 594 N GLU A 38 52.908 7.230 6.700 1.00 0.00 N ATOM 595 CA GLU A 38 53.576 6.181 7.513 1.00 0.00 C ATOM 596 C GLU A 38 53.003 6.222 8.925 1.00 0.00 C ATOM 597 O GLU A 38 52.580 7.262 9.398 1.00 0.00 O ATOM 598 CB GLU A 38 55.072 6.533 7.511 1.00 0.00 C ATOM 599 CG GLU A 38 55.290 7.947 8.065 1.00 0.00 C ATOM 600 CD GLU A 38 56.679 8.036 8.701 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.639 7.697 8.031 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.757 8.444 9.849 1.00 0.00 O ATOM 0 H GLU A 38 53.480 8.047 6.486 1.00 0.00 H new ATOM 0 HA GLU A 38 53.422 5.177 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.623 5.811 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.466 6.468 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 38 55.197 8.681 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 38 54.524 8.182 8.804 1.00 0.00 H new ATOM 609 N SER A 39 52.981 5.109 9.598 1.00 0.00 N ATOM 610 CA SER A 39 52.432 5.082 10.983 1.00 0.00 C ATOM 611 C SER A 39 53.553 5.345 11.993 1.00 0.00 C ATOM 612 O SER A 39 53.664 4.675 12.997 1.00 0.00 O ATOM 613 CB SER A 39 51.879 3.669 11.136 1.00 0.00 C ATOM 614 OG SER A 39 50.504 3.661 10.774 1.00 0.00 O ATOM 0 H SER A 39 53.320 4.213 9.249 1.00 0.00 H new ATOM 0 HA SER A 39 51.671 5.842 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.437 2.977 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.998 3.329 12.165 1.00 0.00 H new ATOM 0 HG SER A 39 50.146 2.754 10.870 1.00 0.00 H new ATOM 620 N ASN A 40 54.394 6.319 11.723 1.00 0.00 N ATOM 621 CA ASN A 40 55.530 6.635 12.644 1.00 0.00 C ATOM 622 C ASN A 40 56.403 5.393 12.843 1.00 0.00 C ATOM 623 O ASN A 40 57.016 5.217 13.879 1.00 0.00 O ATOM 624 CB ASN A 40 54.899 7.079 13.971 1.00 0.00 C ATOM 625 CG ASN A 40 53.991 8.288 13.729 1.00 0.00 C ATOM 626 OD1 ASN A 40 54.293 9.135 12.911 1.00 0.00 O ATOM 627 ND2 ASN A 40 52.885 8.405 14.411 1.00 0.00 N ATOM 0 H ASN A 40 54.339 6.912 10.895 1.00 0.00 H new ATOM 0 HA ASN A 40 56.171 7.418 12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 40 54.324 6.260 14.404 1.00 0.00 H new ATOM 0 HB3 ASN A 40 55.679 7.335 14.688 1.00 0.00 H new ATOM 0 HD21 ASN A 40 52.274 9.207 14.258 1.00 0.00 H new ATOM 0 HD22 ASN A 40 52.631 7.694 15.097 1.00 0.00 H new ATOM 634 N LEU A 41 56.467 4.531 11.851 1.00 0.00 N ATOM 635 CA LEU A 41 57.312 3.301 11.986 1.00 0.00 C ATOM 636 C LEU A 41 57.550 2.652 10.592 1.00 0.00 C ATOM 637 O LEU A 41 57.145 3.216 9.594 1.00 0.00 O ATOM 638 CB LEU A 41 56.542 2.405 13.001 1.00 0.00 C ATOM 639 CG LEU A 41 55.532 1.450 12.333 1.00 0.00 C ATOM 640 CD1 LEU A 41 55.396 0.184 13.180 1.00 0.00 C ATOM 641 CD2 LEU A 41 54.170 2.128 12.241 1.00 0.00 C ATOM 0 H LEU A 41 55.975 4.626 10.963 1.00 0.00 H new ATOM 0 HA LEU A 41 58.319 3.492 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.260 1.819 13.574 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.013 3.043 13.709 1.00 0.00 H new ATOM 0 HG LEU A 41 55.885 1.195 11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.683 -0.493 12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 41 56.366 -0.308 13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.043 0.449 14.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 53.458 1.451 11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.821 2.381 13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 54.256 3.037 11.646 1.00 0.00 H new ATOM 653 N PRO A 42 58.216 1.501 10.545 1.00 0.00 N ATOM 654 CA PRO A 42 58.497 0.847 9.237 1.00 0.00 C ATOM 655 C PRO A 42 57.206 0.439 8.513 1.00 0.00 C ATOM 656 O PRO A 42 57.088 0.601 7.313 1.00 0.00 O ATOM 657 CB PRO A 42 59.324 -0.380 9.639 1.00 0.00 C ATOM 658 CG PRO A 42 59.496 -0.387 11.167 1.00 0.00 C ATOM 659 CD PRO A 42 58.719 0.794 11.757 1.00 0.00 C ATOM 0 HA PRO A 42 59.011 1.504 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.827 -1.293 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.298 -0.355 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.130 -1.325 11.584 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.552 -0.312 11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.903 0.461 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.358 1.436 12.363 1.00 0.00 H new ATOM 667 N TRP A 43 56.245 -0.094 9.225 1.00 0.00 N ATOM 668 CA TRP A 43 54.967 -0.520 8.571 1.00 0.00 C ATOM 669 C TRP A 43 54.097 0.711 8.283 1.00 0.00 C ATOM 670 O TRP A 43 53.863 1.531 9.150 1.00 0.00 O ATOM 671 CB TRP A 43 54.278 -1.430 9.594 1.00 0.00 C ATOM 672 CG TRP A 43 55.157 -2.586 9.934 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.018 -2.597 10.962 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.272 -3.885 9.283 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.667 -3.817 10.995 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.241 -4.648 9.978 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.640 -4.470 8.172 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.571 -5.945 9.584 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.970 -5.775 7.774 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.933 -6.511 8.479 1.00 0.00 C ATOM 0 H TRP A 43 56.289 -0.253 10.232 1.00 0.00 H new ATOM 0 HA TRP A 43 55.136 -1.030 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.045 -0.864 10.496 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.332 -1.790 9.191 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.179 -1.783 11.653 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.373 -4.072 11.685 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.897 -3.912 7.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.314 -6.507 10.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.479 -6.215 6.919 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.181 -7.515 8.167 1.00 0.00 H new ATOM 691 N TRP A 44 53.638 0.853 7.063 1.00 0.00 N ATOM 692 CA TRP A 44 52.807 2.037 6.697 1.00 0.00 C ATOM 693 C TRP A 44 51.394 1.619 6.287 1.00 0.00 C ATOM 694 O TRP A 44 50.975 0.500 6.489 1.00 0.00 O ATOM 695 CB TRP A 44 53.501 2.619 5.466 1.00 0.00 C ATOM 696 CG TRP A 44 54.915 3.008 5.745 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.452 3.326 6.950 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.976 3.132 4.773 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.792 3.636 6.761 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.158 3.530 5.429 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.010 2.934 3.387 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.346 3.727 4.722 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.193 3.128 2.671 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.365 3.525 3.335 1.00 0.00 C ATOM 0 H TRP A 44 53.806 0.194 6.302 1.00 0.00 H new ATOM 0 HA TRP A 44 52.719 2.730 7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.480 1.886 4.659 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.948 3.492 5.118 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.927 3.336 7.894 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.428 3.908 7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.114 2.629 2.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.243 4.033 5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.207 2.972 1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.278 3.674 2.779 1.00 0.00 H new ATOM 715 N ARG A 45 50.682 2.524 5.664 1.00 0.00 N ATOM 716 CA ARG A 45 49.315 2.223 5.167 1.00 0.00 C ATOM 717 C ARG A 45 49.246 2.703 3.712 1.00 0.00 C ATOM 718 O ARG A 45 48.653 3.720 3.410 1.00 0.00 O ATOM 719 CB ARG A 45 48.367 3.028 6.058 1.00 0.00 C ATOM 720 CG ARG A 45 47.040 2.281 6.197 1.00 0.00 C ATOM 721 CD ARG A 45 46.427 2.580 7.567 1.00 0.00 C ATOM 722 NE ARG A 45 45.828 3.936 7.431 1.00 0.00 N ATOM 723 CZ ARG A 45 44.721 4.227 8.059 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.719 3.390 8.036 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.617 5.353 8.711 1.00 0.00 N ATOM 0 H ARG A 45 51.001 3.475 5.478 1.00 0.00 H new ATOM 0 HA ARG A 45 49.055 1.165 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.815 3.180 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.197 4.015 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.355 2.585 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.201 1.209 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.672 1.840 7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 45 47.184 2.559 8.351 1.00 0.00 H new ATOM 0 HE ARG A 45 46.283 4.638 6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.802 2.510 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.854 3.617 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.401 6.006 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.752 5.580 9.202 1.00 0.00 H new ATOM 739 N ALA A 46 49.888 1.989 2.820 1.00 0.00 N ATOM 740 CA ALA A 46 49.916 2.404 1.385 1.00 0.00 C ATOM 741 C ALA A 46 49.048 1.467 0.540 1.00 0.00 C ATOM 742 O ALA A 46 48.720 0.373 0.957 1.00 0.00 O ATOM 743 CB ALA A 46 51.394 2.291 0.979 1.00 0.00 C ATOM 0 H ALA A 46 50.397 1.130 3.027 1.00 0.00 H new ATOM 0 HA ALA A 46 49.523 3.410 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.507 2.579 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.995 2.952 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.730 1.262 1.111 1.00 0.00 H new ATOM 749 N ARG A 47 48.677 1.889 -0.645 1.00 0.00 N ATOM 750 CA ARG A 47 47.832 1.019 -1.519 1.00 0.00 C ATOM 751 C ARG A 47 48.653 0.493 -2.693 1.00 0.00 C ATOM 752 O ARG A 47 49.687 1.034 -3.030 1.00 0.00 O ATOM 753 CB ARG A 47 46.713 1.915 -2.040 1.00 0.00 C ATOM 754 CG ARG A 47 45.757 2.272 -0.905 1.00 0.00 C ATOM 755 CD ARG A 47 45.164 3.660 -1.162 1.00 0.00 C ATOM 756 NE ARG A 47 44.051 3.793 -0.181 1.00 0.00 N ATOM 757 CZ ARG A 47 42.831 3.988 -0.601 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.265 3.116 -1.391 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.176 5.054 -0.232 1.00 0.00 N ATOM 0 H ARG A 47 48.922 2.796 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 47 47.447 0.159 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.134 2.823 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.170 1.407 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.961 1.530 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.285 2.260 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.911 4.441 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.800 3.750 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 47 44.242 3.732 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.776 2.282 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.311 3.269 -1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.617 5.736 0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.222 5.206 -0.561 1.00 0.00 H new ATOM 773 N ASP A 48 48.190 -0.554 -3.321 1.00 0.00 N ATOM 774 CA ASP A 48 48.927 -1.124 -4.480 1.00 0.00 C ATOM 775 C ASP A 48 48.303 -0.641 -5.799 1.00 0.00 C ATOM 776 O ASP A 48 47.707 0.418 -5.857 1.00 0.00 O ATOM 777 CB ASP A 48 48.791 -2.645 -4.313 1.00 0.00 C ATOM 778 CG ASP A 48 47.320 -3.074 -4.429 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.455 -2.250 -4.178 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.087 -4.222 -4.769 1.00 0.00 O ATOM 0 H ASP A 48 47.327 -1.040 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 48 49.972 -0.815 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.385 -3.154 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.188 -2.946 -3.344 1.00 0.00 H new ATOM 785 N LYS A 49 48.439 -1.408 -6.851 1.00 0.00 N ATOM 786 CA LYS A 49 47.859 -1.000 -8.165 1.00 0.00 C ATOM 787 C LYS A 49 46.480 -1.634 -8.354 1.00 0.00 C ATOM 788 O LYS A 49 46.134 -2.078 -9.434 1.00 0.00 O ATOM 789 CB LYS A 49 48.840 -1.527 -9.212 1.00 0.00 C ATOM 790 CG LYS A 49 49.833 -0.424 -9.584 1.00 0.00 C ATOM 791 CD LYS A 49 49.156 0.579 -10.519 1.00 0.00 C ATOM 792 CE LYS A 49 48.842 -0.098 -11.854 1.00 0.00 C ATOM 793 NZ LYS A 49 48.513 1.019 -12.784 1.00 0.00 N ATOM 0 H LYS A 49 48.929 -2.303 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 49 47.725 0.079 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.373 -2.394 -8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.299 -1.858 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.185 0.081 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.708 -0.856 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.239 0.954 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.806 1.439 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.694 -0.674 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.006 -0.791 -11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.286 0.634 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.694 1.545 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.329 1.659 -12.861 1.00 0.00 H new ATOM 807 N ASN A 50 45.690 -1.676 -7.311 1.00 0.00 N ATOM 808 CA ASN A 50 44.332 -2.273 -7.416 1.00 0.00 C ATOM 809 C ASN A 50 43.338 -1.506 -6.534 1.00 0.00 C ATOM 810 O ASN A 50 42.295 -2.020 -6.177 1.00 0.00 O ATOM 811 CB ASN A 50 44.491 -3.712 -6.923 1.00 0.00 C ATOM 812 CG ASN A 50 45.306 -4.513 -7.940 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.516 -4.577 -7.851 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.690 -5.134 -8.908 1.00 0.00 N ATOM 0 H ASN A 50 45.933 -1.319 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 50 43.944 -2.231 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.989 -3.722 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.512 -4.170 -6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.224 -5.673 -9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.674 -5.081 -8.983 1.00 0.00 H new ATOM 821 N GLY A 51 43.652 -0.281 -6.184 1.00 0.00 N ATOM 822 CA GLY A 51 42.726 0.520 -5.330 1.00 0.00 C ATOM 823 C GLY A 51 42.541 -0.169 -3.977 1.00 0.00 C ATOM 824 O GLY A 51 41.508 -0.047 -3.346 1.00 0.00 O ATOM 0 H GLY A 51 44.512 0.197 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.127 1.523 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.762 0.630 -5.827 1.00 0.00 H new ATOM 828 N GLN A 52 43.536 -0.892 -3.528 1.00 0.00 N ATOM 829 CA GLN A 52 43.425 -1.593 -2.214 1.00 0.00 C ATOM 830 C GLN A 52 44.499 -1.083 -1.250 1.00 0.00 C ATOM 831 O GLN A 52 45.670 -1.045 -1.577 1.00 0.00 O ATOM 832 CB GLN A 52 43.652 -3.070 -2.535 1.00 0.00 C ATOM 833 CG GLN A 52 42.312 -3.737 -2.851 1.00 0.00 C ATOM 834 CD GLN A 52 42.536 -5.221 -3.144 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.426 -5.834 -2.590 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.759 -5.829 -4.001 1.00 0.00 N ATOM 0 H GLN A 52 44.421 -1.027 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 52 42.461 -1.422 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.328 -3.168 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.127 -3.568 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.629 -3.621 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.846 -3.252 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.011 -5.314 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.900 -6.818 -4.205 1.00 0.00 H new ATOM 845 N GLU A 53 44.105 -0.694 -0.064 1.00 0.00 N ATOM 846 CA GLU A 53 45.097 -0.185 0.933 1.00 0.00 C ATOM 847 C GLU A 53 45.467 -1.292 1.923 1.00 0.00 C ATOM 848 O GLU A 53 44.677 -2.175 2.197 1.00 0.00 O ATOM 849 CB GLU A 53 44.395 0.975 1.653 1.00 0.00 C ATOM 850 CG GLU A 53 43.108 0.484 2.326 1.00 0.00 C ATOM 851 CD GLU A 53 42.681 1.487 3.399 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.735 2.674 3.128 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.305 1.049 4.475 1.00 0.00 O ATOM 0 H GLU A 53 43.137 -0.707 0.258 1.00 0.00 H new ATOM 0 HA GLU A 53 46.023 0.140 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.062 1.405 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.162 1.766 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.318 0.370 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.270 -0.497 2.773 1.00 0.00 H new ATOM 860 N GLY A 54 46.659 -1.247 2.465 1.00 0.00 N ATOM 861 CA GLY A 54 47.073 -2.292 3.444 1.00 0.00 C ATOM 862 C GLY A 54 48.389 -1.871 4.087 1.00 0.00 C ATOM 863 O GLY A 54 48.691 -0.697 4.160 1.00 0.00 O ATOM 0 H GLY A 54 47.360 -0.532 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.305 -2.420 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.188 -3.253 2.943 1.00 0.00 H new ATOM 867 N TYR A 55 49.171 -2.808 4.565 1.00 0.00 N ATOM 868 CA TYR A 55 50.458 -2.428 5.215 1.00 0.00 C ATOM 869 C TYR A 55 51.657 -2.621 4.278 1.00 0.00 C ATOM 870 O TYR A 55 51.682 -3.506 3.445 1.00 0.00 O ATOM 871 CB TYR A 55 50.582 -3.330 6.443 1.00 0.00 C ATOM 872 CG TYR A 55 49.793 -2.738 7.586 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.280 -1.614 8.264 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.575 -3.312 7.967 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.548 -1.065 9.324 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.844 -2.762 9.027 1.00 0.00 C ATOM 877 CZ TYR A 55 48.330 -1.639 9.706 1.00 0.00 C ATOM 878 OH TYR A 55 47.609 -1.097 10.750 1.00 0.00 O ATOM 0 H TYR A 55 48.975 -3.808 4.533 1.00 0.00 H new ATOM 0 HA TYR A 55 50.458 -1.371 5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.213 -4.329 6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.629 -3.435 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.220 -1.171 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 55 48.199 -4.179 7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 55 49.924 -0.198 9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.904 -3.205 9.321 1.00 0.00 H new ATOM 0 HH TYR A 55 46.788 -1.615 10.884 1.00 0.00 H new ATOM 888 N ILE A 56 52.651 -1.780 4.425 1.00 0.00 N ATOM 889 CA ILE A 56 53.877 -1.867 3.573 1.00 0.00 C ATOM 890 C ILE A 56 55.124 -1.625 4.465 1.00 0.00 C ATOM 891 O ILE A 56 55.417 -0.491 4.784 1.00 0.00 O ATOM 892 CB ILE A 56 53.698 -0.732 2.537 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.769 -1.212 1.424 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.035 -0.323 1.909 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.316 -0.975 1.828 1.00 0.00 C ATOM 0 H ILE A 56 52.664 -1.025 5.111 1.00 0.00 H new ATOM 0 HA ILE A 56 54.012 -2.834 3.089 1.00 0.00 H new ATOM 0 HB ILE A 56 53.279 0.131 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.990 -0.681 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.935 -2.272 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.868 0.476 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.711 0.028 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.478 -1.182 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.656 -1.319 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.098 -1.526 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.155 0.089 1.999 1.00 0.00 H new ATOM 907 N PRO A 57 55.835 -2.680 4.844 1.00 0.00 N ATOM 908 CA PRO A 57 57.042 -2.501 5.693 1.00 0.00 C ATOM 909 C PRO A 57 58.048 -1.552 5.021 1.00 0.00 C ATOM 910 O PRO A 57 58.198 -1.543 3.815 1.00 0.00 O ATOM 911 CB PRO A 57 57.594 -3.926 5.806 1.00 0.00 C ATOM 912 CG PRO A 57 56.669 -4.878 5.023 1.00 0.00 C ATOM 913 CD PRO A 57 55.491 -4.077 4.463 1.00 0.00 C ATOM 0 HA PRO A 57 56.832 -2.051 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.607 -3.971 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.649 -4.228 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.219 -5.356 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.308 -5.673 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.400 -4.192 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.543 -4.394 4.898 1.00 0.00 H new ATOM 921 N SER A 58 58.715 -0.739 5.802 1.00 0.00 N ATOM 922 CA SER A 58 59.696 0.241 5.231 1.00 0.00 C ATOM 923 C SER A 58 60.808 -0.460 4.442 1.00 0.00 C ATOM 924 O SER A 58 61.023 -0.175 3.281 1.00 0.00 O ATOM 925 CB SER A 58 60.290 0.963 6.443 1.00 0.00 C ATOM 926 OG SER A 58 59.663 2.230 6.589 1.00 0.00 O ATOM 0 H SER A 58 58.623 -0.710 6.817 1.00 0.00 H new ATOM 0 HA SER A 58 59.208 0.920 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.144 0.366 7.344 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.365 1.089 6.315 1.00 0.00 H new ATOM 0 HG SER A 58 58.884 2.280 5.996 1.00 0.00 H new ATOM 932 N ASN A 59 61.532 -1.350 5.069 1.00 0.00 N ATOM 933 CA ASN A 59 62.651 -2.047 4.358 1.00 0.00 C ATOM 934 C ASN A 59 62.130 -2.809 3.138 1.00 0.00 C ATOM 935 O ASN A 59 62.752 -2.835 2.092 1.00 0.00 O ATOM 936 CB ASN A 59 63.250 -2.999 5.404 1.00 0.00 C ATOM 937 CG ASN A 59 62.287 -4.149 5.729 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.419 -4.003 6.692 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 62.334 -5.188 5.102 1.00 0.00 N flip ATOM 0 H ASN A 59 61.399 -1.626 6.042 1.00 0.00 H new ATOM 0 HA ASN A 59 63.396 -1.350 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 59 64.191 -3.404 5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.478 -2.445 6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 59 63.014 -5.299 4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 59 61.694 -5.949 5.328 1.00 0.00 H new ATOM 946 N TYR A 60 60.999 -3.433 3.280 1.00 0.00 N ATOM 947 CA TYR A 60 60.416 -4.216 2.144 1.00 0.00 C ATOM 948 C TYR A 60 60.157 -3.322 0.921 1.00 0.00 C ATOM 949 O TYR A 60 60.017 -3.812 -0.183 1.00 0.00 O ATOM 950 CB TYR A 60 59.101 -4.786 2.677 1.00 0.00 C ATOM 951 CG TYR A 60 59.356 -6.134 3.312 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.845 -6.208 4.621 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.099 -7.306 2.594 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.077 -7.455 5.213 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.332 -8.556 3.185 1.00 0.00 C ATOM 956 CZ TYR A 60 59.821 -8.629 4.495 1.00 0.00 C ATOM 957 OH TYR A 60 60.049 -9.859 5.078 1.00 0.00 O ATOM 0 H TYR A 60 60.445 -3.439 4.136 1.00 0.00 H new ATOM 0 HA TYR A 60 61.099 -4.998 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.667 -4.104 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.380 -4.885 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.044 -5.302 5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.721 -7.248 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.453 -7.511 6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.135 -9.461 2.630 1.00 0.00 H new ATOM 0 HH TYR A 60 59.819 -10.569 4.444 1.00 0.00 H new ATOM 967 N VAL A 61 60.097 -2.021 1.099 1.00 0.00 N ATOM 968 CA VAL A 61 59.854 -1.117 -0.072 1.00 0.00 C ATOM 969 C VAL A 61 60.861 0.035 -0.090 1.00 0.00 C ATOM 970 O VAL A 61 61.469 0.362 0.910 1.00 0.00 O ATOM 971 CB VAL A 61 58.434 -0.564 0.096 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.426 -1.712 0.000 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.296 0.141 1.456 1.00 0.00 C ATOM 0 H VAL A 61 60.205 -1.550 1.997 1.00 0.00 H new ATOM 0 HA VAL A 61 59.967 -1.662 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 61 58.236 0.160 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.416 -1.320 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.516 -2.194 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.628 -2.440 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.283 0.529 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.499 -0.570 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.008 0.964 1.513 1.00 0.00 H new ATOM 983 N THR A 62 61.021 0.660 -1.224 1.00 0.00 N ATOM 984 CA THR A 62 61.966 1.809 -1.336 1.00 0.00 C ATOM 985 C THR A 62 61.294 2.924 -2.145 1.00 0.00 C ATOM 986 O THR A 62 60.088 3.055 -2.127 1.00 0.00 O ATOM 987 CB THR A 62 63.202 1.256 -2.059 1.00 0.00 C ATOM 988 OG1 THR A 62 64.160 2.293 -2.214 1.00 0.00 O ATOM 989 CG2 THR A 62 62.809 0.715 -3.436 1.00 0.00 C ATOM 0 H THR A 62 60.533 0.422 -2.087 1.00 0.00 H new ATOM 0 HA THR A 62 62.245 2.230 -0.370 1.00 0.00 H new ATOM 0 HB THR A 62 63.628 0.445 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.401 2.377 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.694 0.325 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.077 -0.084 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.376 1.518 -4.032 1.00 0.00 H new ATOM 997 N GLU A 63 62.048 3.719 -2.856 1.00 0.00 N ATOM 998 CA GLU A 63 61.424 4.811 -3.661 1.00 0.00 C ATOM 999 C GLU A 63 60.753 4.224 -4.904 1.00 0.00 C ATOM 1000 O GLU A 63 61.266 3.318 -5.525 1.00 0.00 O ATOM 1001 CB GLU A 63 62.574 5.741 -4.049 1.00 0.00 C ATOM 1002 CG GLU A 63 62.011 6.999 -4.715 1.00 0.00 C ATOM 1003 CD GLU A 63 63.090 8.082 -4.754 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.137 7.828 -5.328 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.852 9.148 -4.210 1.00 0.00 O ATOM 0 H GLU A 63 63.065 3.661 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 63 60.653 5.345 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.151 6.012 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.255 5.230 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.675 6.769 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.141 7.357 -4.164 1.00 0.00 H new ATOM 1012 N ALA A 64 59.598 4.734 -5.258 1.00 0.00 N ATOM 1013 CA ALA A 64 58.856 4.212 -6.453 1.00 0.00 C ATOM 1014 C ALA A 64 59.774 4.103 -7.681 1.00 0.00 C ATOM 1015 O ALA A 64 60.914 4.528 -7.656 1.00 0.00 O ATOM 1016 CB ALA A 64 57.759 5.238 -6.715 1.00 0.00 C ATOM 0 H ALA A 64 59.132 5.497 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 64 58.464 3.212 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.169 4.928 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.113 5.311 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.210 6.210 -6.915 1.00 0.00 H new ATOM 1022 N GLU A 65 59.278 3.542 -8.754 1.00 0.00 N ATOM 1023 CA GLU A 65 60.109 3.404 -9.989 1.00 0.00 C ATOM 1024 C GLU A 65 59.315 3.871 -11.213 1.00 0.00 C ATOM 1025 O GLU A 65 59.760 4.717 -11.965 1.00 0.00 O ATOM 1026 CB GLU A 65 60.426 1.909 -10.092 1.00 0.00 C ATOM 1027 CG GLU A 65 61.866 1.655 -9.638 1.00 0.00 C ATOM 1028 CD GLU A 65 62.018 0.191 -9.219 1.00 0.00 C ATOM 1029 OE1 GLU A 65 61.414 -0.653 -9.860 1.00 0.00 O ATOM 1030 OE2 GLU A 65 62.737 -0.061 -8.266 1.00 0.00 O ATOM 0 H GLU A 65 58.330 3.172 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 65 61.015 4.009 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.733 1.337 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.293 1.569 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 65 62.560 1.887 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 62.117 2.311 -8.804 1.00 0.00 H new ATOM 1037 N ASP A 66 58.143 3.324 -11.413 1.00 0.00 N ATOM 1038 CA ASP A 66 57.312 3.729 -12.587 1.00 0.00 C ATOM 1039 C ASP A 66 55.825 3.661 -12.230 1.00 0.00 C ATOM 1040 O ASP A 66 55.461 3.481 -11.083 1.00 0.00 O ATOM 1041 CB ASP A 66 57.648 2.714 -13.680 1.00 0.00 C ATOM 1042 CG ASP A 66 57.661 3.413 -15.040 1.00 0.00 C ATOM 1043 OD1 ASP A 66 56.683 4.072 -15.354 1.00 0.00 O ATOM 1044 OD2 ASP A 66 58.649 3.280 -15.743 1.00 0.00 O ATOM 0 H ASP A 66 57.725 2.613 -10.813 1.00 0.00 H new ATOM 0 HA ASP A 66 57.516 4.752 -12.904 1.00 0.00 H new ATOM 0 HB2 ASP A 66 58.619 2.260 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 66 56.914 1.908 -13.681 1.00 0.00 H new ATOM 1049 N SER A 67 54.965 3.803 -13.206 1.00 0.00 N ATOM 1050 CA SER A 67 53.497 3.748 -12.935 1.00 0.00 C ATOM 1051 C SER A 67 52.907 2.444 -13.477 1.00 0.00 C ATOM 1052 O SER A 67 52.624 2.392 -14.662 1.00 0.00 O ATOM 1053 CB SER A 67 52.913 4.949 -13.676 1.00 0.00 C ATOM 1054 OG SER A 67 53.207 6.137 -12.953 1.00 0.00 O ATOM 1055 OXT SER A 67 52.750 1.519 -12.696 1.00 0.00 O ATOM 0 H SER A 67 55.218 3.955 -14.182 1.00 0.00 H new ATOM 0 HA SER A 67 53.273 3.778 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 67 53.331 5.009 -14.681 1.00 0.00 H new ATOM 0 HB3 SER A 67 51.835 4.834 -13.785 1.00 0.00 H new ATOM 0 HG SER A 67 52.835 6.909 -13.428 1.00 0.00 H new TER 1061 SER A 67