USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.452 (180deg=0.147) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.206 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -5.48! C(o=-5.5!,f=-8.1!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc=-0.00145 X(o=-0.0015,f=-0.28) USER MOD Single : A 63 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.014) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.58) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.441 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -48.281 32.566 28.376 1.00 0.00 N ATOM 2 CA MET A 1 -47.466 33.201 27.355 1.00 0.00 C ATOM 3 C MET A 1 -45.982 32.900 27.571 1.00 0.00 C ATOM 4 O MET A 1 -45.339 33.509 28.425 1.00 0.00 O ATOM 5 CB MET A 1 -47.691 34.715 27.392 1.00 0.00 C ATOM 6 CG MET A 1 -48.966 35.098 26.638 1.00 0.00 C ATOM 7 SD MET A 1 -50.355 35.115 27.759 1.00 0.00 S ATOM 8 CE MET A 1 -50.731 36.860 27.759 1.00 0.00 C ATOM 0 H1 MET A 1 -49.159 33.108 28.507 1.00 0.00 H new ATOM 0 H2 MET A 1 -48.514 31.596 28.081 1.00 0.00 H new ATOM 0 H3 MET A 1 -47.755 32.538 29.273 1.00 0.00 H new ATOM 0 HA MET A 1 -47.759 32.804 26.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 -47.761 35.051 28.427 1.00 0.00 H new ATOM 0 HB3 MET A 1 -46.835 35.224 26.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 -48.846 36.079 26.179 1.00 0.00 H new ATOM 0 HG3 MET A 1 -49.148 34.389 25.831 1.00 0.00 H new ATOM 0 HE1 MET A 1 -51.581 37.049 28.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 -49.866 37.419 28.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -50.975 37.180 26.746 1.00 0.00 H new ATOM 18 N GLU A 2 -45.481 31.960 26.783 1.00 0.00 N ATOM 19 CA GLU A 2 -44.084 31.570 26.878 1.00 0.00 C ATOM 20 C GLU A 2 -43.242 32.369 25.881 1.00 0.00 C ATOM 21 O GLU A 2 -43.773 32.935 24.927 1.00 0.00 O ATOM 22 CB GLU A 2 -43.919 30.066 26.654 1.00 0.00 C ATOM 23 CG GLU A 2 -42.827 29.494 27.561 1.00 0.00 C ATOM 24 CD GLU A 2 -43.432 28.857 28.813 1.00 0.00 C ATOM 25 OE1 GLU A 2 -44.267 27.946 28.704 1.00 0.00 O ATOM 26 OE2 GLU A 2 -43.005 29.339 29.931 1.00 0.00 O ATOM 0 H GLU A 2 -46.017 31.457 26.076 1.00 0.00 H new ATOM 0 HA GLU A 2 -43.731 31.795 27.884 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -44.864 29.559 26.852 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -43.667 29.875 25.611 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -42.248 28.750 27.014 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -42.137 30.287 27.849 1.00 0.00 H new ATOM 34 N VAL A 3 -41.942 32.389 26.137 1.00 0.00 N ATOM 35 CA VAL A 3 -41.021 33.109 25.274 1.00 0.00 C ATOM 36 C VAL A 3 -41.098 32.533 23.859 1.00 0.00 C ATOM 37 O VAL A 3 -41.576 31.416 23.665 1.00 0.00 O ATOM 38 CB VAL A 3 -39.609 33.063 25.862 1.00 0.00 C ATOM 39 CG1 VAL A 3 -38.625 33.844 24.988 1.00 0.00 C ATOM 40 CG2 VAL A 3 -39.596 33.584 27.300 1.00 0.00 C ATOM 0 H VAL A 3 -41.505 31.918 26.929 1.00 0.00 H new ATOM 0 HA VAL A 3 -41.299 34.161 25.212 1.00 0.00 H new ATOM 0 HB VAL A 3 -39.288 32.021 25.880 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -37.629 33.795 25.429 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -38.601 33.409 23.989 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -38.943 34.885 24.923 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -38.581 33.540 27.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -39.947 34.616 27.316 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -40.251 32.968 27.916 1.00 0.00 H new ATOM 50 N ALA A 4 -40.622 33.321 22.907 1.00 0.00 N ATOM 51 CA ALA A 4 -40.631 32.903 21.515 1.00 0.00 C ATOM 52 C ALA A 4 -40.246 31.425 21.428 1.00 0.00 C ATOM 53 O ALA A 4 -39.483 30.929 22.255 1.00 0.00 O ATOM 54 CB ALA A 4 -39.690 33.799 20.706 1.00 0.00 C ATOM 0 H ALA A 4 -40.227 34.247 23.072 1.00 0.00 H new ATOM 0 HA ALA A 4 -41.629 33.010 21.089 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -39.697 33.485 19.662 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -40.024 34.834 20.776 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -38.678 33.716 21.103 1.00 0.00 H new ATOM 60 N MET A 5 -40.793 30.762 20.419 1.00 0.00 N ATOM 61 CA MET A 5 -40.517 29.351 20.214 1.00 0.00 C ATOM 62 C MET A 5 -39.210 29.154 19.444 1.00 0.00 C ATOM 63 O MET A 5 -39.100 29.557 18.287 1.00 0.00 O ATOM 64 CB MET A 5 -41.669 28.713 19.435 1.00 0.00 C ATOM 65 CG MET A 5 -41.989 27.317 19.973 1.00 0.00 C ATOM 66 SD MET A 5 -43.682 26.892 19.602 1.00 0.00 S ATOM 67 CE MET A 5 -44.156 26.130 21.145 1.00 0.00 C ATOM 0 H MET A 5 -41.426 31.177 19.735 1.00 0.00 H new ATOM 0 HA MET A 5 -40.418 28.874 21.189 1.00 0.00 H new ATOM 0 HB2 MET A 5 -42.554 29.345 19.505 1.00 0.00 H new ATOM 0 HB3 MET A 5 -41.407 28.648 18.379 1.00 0.00 H new ATOM 0 HG2 MET A 5 -41.316 26.584 19.528 1.00 0.00 H new ATOM 0 HG3 MET A 5 -41.826 27.287 21.050 1.00 0.00 H new ATOM 0 HE1 MET A 5 -45.194 25.804 21.086 1.00 0.00 H new ATOM 0 HE2 MET A 5 -43.516 25.269 21.338 1.00 0.00 H new ATOM 0 HE3 MET A 5 -44.048 26.851 21.955 1.00 0.00 H new ATOM 77 N VAL A 6 -38.251 28.535 20.117 1.00 0.00 N ATOM 78 CA VAL A 6 -36.955 28.281 19.511 1.00 0.00 C ATOM 79 C VAL A 6 -37.101 27.192 18.445 1.00 0.00 C ATOM 80 O VAL A 6 -38.065 26.429 18.461 1.00 0.00 O ATOM 81 CB VAL A 6 -35.932 27.926 20.592 1.00 0.00 C ATOM 82 CG1 VAL A 6 -34.504 28.153 20.091 1.00 0.00 C ATOM 83 CG2 VAL A 6 -36.195 28.715 21.876 1.00 0.00 C ATOM 0 H VAL A 6 -38.346 28.202 21.076 1.00 0.00 H new ATOM 0 HA VAL A 6 -36.584 29.177 19.013 1.00 0.00 H new ATOM 0 HB VAL A 6 -36.042 26.866 20.822 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -33.797 27.893 20.878 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -34.321 27.527 19.218 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -34.376 29.201 19.819 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -35.454 28.444 22.628 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -36.127 29.783 21.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -37.192 28.481 22.249 1.00 0.00 H new ATOM 93 N SER A 7 -36.129 27.157 17.545 1.00 0.00 N ATOM 94 CA SER A 7 -36.137 26.175 16.474 1.00 0.00 C ATOM 95 C SER A 7 -37.378 26.364 15.600 1.00 0.00 C ATOM 96 O SER A 7 -38.502 26.340 16.097 1.00 0.00 O ATOM 97 CB SER A 7 -36.094 24.751 17.032 1.00 0.00 C ATOM 98 OG SER A 7 -34.810 24.153 16.872 1.00 0.00 O ATOM 0 H SER A 7 -35.331 27.792 17.535 1.00 0.00 H new ATOM 0 HA SER A 7 -35.245 26.326 15.866 1.00 0.00 H new ATOM 0 HB2 SER A 7 -36.357 24.768 18.090 1.00 0.00 H new ATOM 0 HB3 SER A 7 -36.843 24.141 16.527 1.00 0.00 H new ATOM 0 HG SER A 7 -34.823 23.246 17.242 1.00 0.00 H new ATOM 104 N ALA A 8 -37.131 26.549 14.311 1.00 0.00 N ATOM 105 CA ALA A 8 -38.214 26.743 13.362 1.00 0.00 C ATOM 106 C ALA A 8 -38.675 25.382 12.835 1.00 0.00 C ATOM 107 O ALA A 8 -38.013 24.785 11.987 1.00 0.00 O ATOM 108 CB ALA A 8 -37.751 27.676 12.241 1.00 0.00 C ATOM 0 H ALA A 8 -36.197 26.569 13.902 1.00 0.00 H new ATOM 0 HA ALA A 8 -39.068 27.216 13.847 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -38.564 27.821 11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -37.463 28.638 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -36.896 27.234 11.730 1.00 0.00 H new ATOM 114 N GLU A 9 -39.805 24.932 13.359 1.00 0.00 N ATOM 115 CA GLU A 9 -40.361 23.653 12.952 1.00 0.00 C ATOM 116 C GLU A 9 -41.842 23.574 13.330 1.00 0.00 C ATOM 117 O GLU A 9 -42.318 24.351 14.155 1.00 0.00 O ATOM 118 CB GLU A 9 -39.576 22.493 13.567 1.00 0.00 C ATOM 119 CG GLU A 9 -39.576 21.277 12.637 1.00 0.00 C ATOM 120 CD GLU A 9 -39.009 21.639 11.263 1.00 0.00 C ATOM 121 OE1 GLU A 9 -38.098 22.474 11.168 1.00 0.00 O ATOM 122 OE2 GLU A 9 -39.549 21.016 10.270 1.00 0.00 O ATOM 0 H GLU A 9 -40.351 25.430 14.062 1.00 0.00 H new ATOM 0 HA GLU A 9 -40.277 23.571 11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -38.550 22.806 13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -40.014 22.221 14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -38.984 20.476 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -40.592 20.899 12.527 1.00 0.00 H new ATOM 130 N SER A 10 -42.529 22.627 12.707 1.00 0.00 N ATOM 131 CA SER A 10 -43.946 22.437 12.967 1.00 0.00 C ATOM 132 C SER A 10 -44.355 21.006 12.611 1.00 0.00 C ATOM 133 O SER A 10 -43.748 20.380 11.744 1.00 0.00 O ATOM 134 CB SER A 10 -44.790 23.441 12.181 1.00 0.00 C ATOM 135 OG SER A 10 -44.426 24.788 12.471 1.00 0.00 O ATOM 0 H SER A 10 -42.131 21.983 12.023 1.00 0.00 H new ATOM 0 HA SER A 10 -44.125 22.607 14.029 1.00 0.00 H new ATOM 0 HB2 SER A 10 -44.673 23.256 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 10 -45.844 23.292 12.417 1.00 0.00 H new ATOM 0 HG SER A 10 -44.987 25.398 11.948 1.00 0.00 H new ATOM 141 N SER A 11 -45.382 20.530 13.300 1.00 0.00 N ATOM 142 CA SER A 11 -45.880 19.185 13.068 1.00 0.00 C ATOM 143 C SER A 11 -44.763 18.166 13.303 1.00 0.00 C ATOM 144 O SER A 11 -43.599 18.537 13.447 1.00 0.00 O ATOM 145 CB SER A 11 -46.440 19.041 11.651 1.00 0.00 C ATOM 146 OG SER A 11 -47.537 18.134 11.600 1.00 0.00 O ATOM 0 H SER A 11 -45.883 21.052 14.019 1.00 0.00 H new ATOM 0 HA SER A 11 -46.691 18.995 13.771 1.00 0.00 H new ATOM 0 HB2 SER A 11 -46.760 20.017 11.287 1.00 0.00 H new ATOM 0 HB3 SER A 11 -45.652 18.694 10.983 1.00 0.00 H new ATOM 0 HG SER A 11 -47.867 18.071 10.679 1.00 0.00 H new ATOM 152 N GLY A 12 -45.156 16.901 13.333 1.00 0.00 N ATOM 153 CA GLY A 12 -44.203 15.826 13.548 1.00 0.00 C ATOM 154 C GLY A 12 -44.243 14.819 12.397 1.00 0.00 C ATOM 155 O GLY A 12 -44.628 15.162 11.280 1.00 0.00 O ATOM 0 H GLY A 12 -46.122 16.597 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -43.198 16.239 13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -44.427 15.319 14.487 1.00 0.00 H new ATOM 159 N CYS A 13 -43.842 13.595 12.709 1.00 0.00 N ATOM 160 CA CYS A 13 -43.828 12.536 11.715 1.00 0.00 C ATOM 161 C CYS A 13 -43.209 13.091 10.430 1.00 0.00 C ATOM 162 O CYS A 13 -43.862 13.127 9.388 1.00 0.00 O ATOM 163 CB CYS A 13 -45.228 11.966 11.475 1.00 0.00 C ATOM 164 SG CYS A 13 -45.462 10.444 12.463 1.00 0.00 S ATOM 0 H CYS A 13 -43.524 13.314 13.637 1.00 0.00 H new ATOM 0 HA CYS A 13 -43.226 11.703 12.077 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -45.982 12.705 11.746 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -45.364 11.746 10.416 1.00 0.00 H new ATOM 0 HG CYS A 13 -46.654 9.970 12.254 1.00 0.00 H new ATOM 170 N ASN A 14 -41.958 13.509 10.547 1.00 0.00 N ATOM 171 CA ASN A 14 -41.244 14.061 9.407 1.00 0.00 C ATOM 172 C ASN A 14 -40.213 13.043 8.916 1.00 0.00 C ATOM 173 O ASN A 14 -39.219 13.413 8.291 1.00 0.00 O ATOM 174 CB ASN A 14 -40.499 15.341 9.791 1.00 0.00 C ATOM 175 CG ASN A 14 -41.125 16.563 9.116 1.00 0.00 C ATOM 176 OD1 ASN A 14 -42.231 16.976 9.422 1.00 0.00 O ATOM 177 ND2 ASN A 14 -40.358 17.116 8.181 1.00 0.00 N ATOM 0 H ASN A 14 -41.420 13.477 11.413 1.00 0.00 H new ATOM 0 HA ASN A 14 -41.973 14.288 8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -40.521 15.468 10.873 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -39.452 15.257 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -40.686 17.936 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -39.441 16.720 7.974 1.00 0.00 H new ATOM 184 N SER A 15 -40.484 11.782 9.217 1.00 0.00 N ATOM 185 CA SER A 15 -39.592 10.708 8.813 1.00 0.00 C ATOM 186 C SER A 15 -40.405 9.492 8.365 1.00 0.00 C ATOM 187 O SER A 15 -40.627 8.567 9.145 1.00 0.00 O ATOM 188 CB SER A 15 -38.644 10.322 9.951 1.00 0.00 C ATOM 189 OG SER A 15 -37.851 11.425 10.383 1.00 0.00 O ATOM 0 H SER A 15 -41.308 11.479 9.736 1.00 0.00 H new ATOM 0 HA SER A 15 -38.989 11.062 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 15 -39.223 9.941 10.792 1.00 0.00 H new ATOM 0 HB3 SER A 15 -37.992 9.514 9.621 1.00 0.00 H new ATOM 0 HG SER A 15 -37.261 11.138 11.111 1.00 0.00 H new ATOM 195 N HIS A 16 -40.827 9.533 7.109 1.00 0.00 N ATOM 196 CA HIS A 16 -41.611 8.447 6.548 1.00 0.00 C ATOM 197 C HIS A 16 -42.925 8.309 7.320 1.00 0.00 C ATOM 198 O HIS A 16 -43.018 7.518 8.257 1.00 0.00 O ATOM 199 CB HIS A 16 -40.801 7.149 6.521 1.00 0.00 C ATOM 200 CG HIS A 16 -41.452 6.035 5.737 1.00 0.00 C ATOM 201 ND1 HIS A 16 -41.703 4.785 6.278 1.00 0.00 N ATOM 202 CD2 HIS A 16 -41.901 5.994 4.450 1.00 0.00 C ATOM 203 CE1 HIS A 16 -42.276 4.035 5.349 1.00 0.00 C ATOM 204 NE2 HIS A 16 -42.398 4.786 4.217 1.00 0.00 N ATOM 0 H HIS A 16 -40.640 10.302 6.465 1.00 0.00 H new ATOM 0 HA HIS A 16 -41.861 8.673 5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -39.819 7.354 6.094 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -40.639 6.812 7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -41.859 6.807 3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -42.591 3.009 5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -42.804 4.471 3.336 1.00 0.00 H new ATOM 212 N MET A 17 -43.907 9.092 6.898 1.00 0.00 N ATOM 213 CA MET A 17 -45.211 9.067 7.538 1.00 0.00 C ATOM 214 C MET A 17 -45.661 7.630 7.811 1.00 0.00 C ATOM 215 O MET A 17 -46.038 7.297 8.934 1.00 0.00 O ATOM 216 CB MET A 17 -46.236 9.761 6.638 1.00 0.00 C ATOM 217 CG MET A 17 -46.857 10.968 7.343 1.00 0.00 C ATOM 218 SD MET A 17 -47.108 12.294 6.175 1.00 0.00 S ATOM 219 CE MET A 17 -48.275 13.292 7.086 1.00 0.00 C ATOM 0 H MET A 17 -43.826 9.748 6.121 1.00 0.00 H new ATOM 0 HA MET A 17 -45.137 9.592 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 17 -45.755 10.083 5.714 1.00 0.00 H new ATOM 0 HB3 MET A 17 -47.019 9.055 6.361 1.00 0.00 H new ATOM 0 HG2 MET A 17 -47.808 10.686 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 17 -46.206 11.302 8.151 1.00 0.00 H new ATOM 0 HE1 MET A 17 -48.541 14.169 6.497 1.00 0.00 H new ATOM 0 HE2 MET A 17 -49.171 12.707 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 17 -47.826 13.610 8.027 1.00 0.00 H new ATOM 229 N PRO A 18 -45.605 6.797 6.739 1.00 0.00 N ATOM 230 CA PRO A 18 -46.002 5.404 6.852 1.00 0.00 C ATOM 231 C PRO A 18 -44.936 4.587 7.586 1.00 0.00 C ATOM 232 O PRO A 18 -43.817 5.058 7.787 1.00 0.00 O ATOM 233 CB PRO A 18 -46.224 4.940 5.421 1.00 0.00 C ATOM 234 CG PRO A 18 -45.498 5.945 4.540 1.00 0.00 C ATOM 235 CD PRO A 18 -45.163 7.157 5.394 1.00 0.00 C ATOM 0 HA PRO A 18 -46.907 5.272 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -45.832 3.934 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -47.287 4.907 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -44.590 5.505 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.123 6.234 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -44.095 7.373 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -45.676 8.049 5.034 1.00 0.00 H new ATOM 243 N TYR A 19 -45.320 3.378 7.966 1.00 0.00 N ATOM 244 CA TYR A 19 -44.411 2.492 8.674 1.00 0.00 C ATOM 245 C TYR A 19 -43.301 1.991 7.747 1.00 0.00 C ATOM 246 O TYR A 19 -43.576 1.352 6.733 1.00 0.00 O ATOM 247 CB TYR A 19 -45.255 1.300 9.130 1.00 0.00 C ATOM 248 CG TYR A 19 -44.434 0.131 9.678 1.00 0.00 C ATOM 249 CD1 TYR A 19 -43.750 0.267 10.869 1.00 0.00 C ATOM 250 CD2 TYR A 19 -44.378 -1.060 8.982 1.00 0.00 C ATOM 251 CE1 TYR A 19 -42.978 -0.834 11.386 1.00 0.00 C ATOM 252 CE2 TYR A 19 -43.605 -2.160 9.498 1.00 0.00 C ATOM 253 CZ TYR A 19 -42.944 -1.993 10.675 1.00 0.00 C ATOM 254 OH TYR A 19 -42.214 -3.032 11.162 1.00 0.00 O ATOM 0 H TYR A 19 -46.248 2.990 7.797 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.938 3.012 9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -45.951 1.634 9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.853 0.948 8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.793 1.199 11.413 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -44.914 -1.167 8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -42.439 -0.741 12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -43.551 -3.096 8.963 1.00 0.00 H new ATOM 0 HH TYR A 19 -42.282 -3.795 10.551 1.00 0.00 H new ATOM 264 N GLY A 20 -42.071 2.301 8.129 1.00 0.00 N ATOM 265 CA GLY A 20 -40.919 1.891 7.345 1.00 0.00 C ATOM 266 C GLY A 20 -39.649 1.884 8.198 1.00 0.00 C ATOM 267 O GLY A 20 -39.463 1.001 9.034 1.00 0.00 O ATOM 0 H GLY A 20 -41.847 2.831 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.090 0.896 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.790 2.568 6.500 1.00 0.00 H new ATOM 271 N TYR A 21 -38.808 2.880 7.959 1.00 0.00 N ATOM 272 CA TYR A 21 -37.561 3.000 8.696 1.00 0.00 C ATOM 273 C TYR A 21 -37.779 3.720 10.028 1.00 0.00 C ATOM 274 O TYR A 21 -37.012 4.611 10.388 1.00 0.00 O ATOM 275 CB TYR A 21 -36.633 3.843 7.819 1.00 0.00 C ATOM 276 CG TYR A 21 -35.796 3.026 6.833 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.401 2.417 5.753 1.00 0.00 C ATOM 278 CD2 TYR A 21 -34.435 2.899 7.024 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.614 1.648 4.825 1.00 0.00 C ATOM 280 CE2 TYR A 21 -33.647 2.130 6.096 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.275 1.543 5.042 1.00 0.00 C ATOM 282 OH TYR A 21 -33.531 0.817 4.165 1.00 0.00 O ATOM 0 H TYR A 21 -38.966 3.611 7.266 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.148 2.015 8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.232 4.563 7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -35.963 4.415 8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.466 2.517 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -33.961 3.376 7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -36.076 1.166 3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -32.581 2.022 6.234 1.00 0.00 H new ATOM 0 HH TYR A 21 -32.592 0.830 4.444 1.00 0.00 H new ATOM 292 N ALA A 22 -38.828 3.305 10.724 1.00 0.00 N ATOM 293 CA ALA A 22 -39.156 3.900 12.008 1.00 0.00 C ATOM 294 C ALA A 22 -38.408 3.154 13.116 1.00 0.00 C ATOM 295 O ALA A 22 -37.629 3.753 13.856 1.00 0.00 O ATOM 296 CB ALA A 22 -40.672 3.875 12.210 1.00 0.00 C ATOM 0 H ALA A 22 -39.461 2.564 10.423 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.840 4.943 12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.918 4.321 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.155 4.442 11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.025 2.844 12.187 1.00 0.00 H new ATOM 302 N ALA A 23 -38.671 1.858 13.195 1.00 0.00 N ATOM 303 CA ALA A 23 -38.033 1.025 14.199 1.00 0.00 C ATOM 304 C ALA A 23 -36.592 0.735 13.775 1.00 0.00 C ATOM 305 O ALA A 23 -35.831 0.126 14.525 1.00 0.00 O ATOM 306 CB ALA A 23 -38.851 -0.253 14.398 1.00 0.00 C ATOM 0 H ALA A 23 -39.318 1.364 12.580 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.996 1.541 15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.372 -0.878 15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.857 0.007 14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.908 -0.799 13.456 1.00 0.00 H new ATOM 312 N GLN A 24 -36.261 1.184 12.573 1.00 0.00 N ATOM 313 CA GLN A 24 -34.925 0.981 12.040 1.00 0.00 C ATOM 314 C GLN A 24 -34.005 2.128 12.461 1.00 0.00 C ATOM 315 O GLN A 24 -32.818 2.128 12.137 1.00 0.00 O ATOM 316 CB GLN A 24 -34.959 0.835 10.518 1.00 0.00 C ATOM 317 CG GLN A 24 -34.236 -0.438 10.072 1.00 0.00 C ATOM 318 CD GLN A 24 -35.181 -1.641 10.095 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.114 -2.499 10.960 1.00 0.00 O ATOM 320 NE2 GLN A 24 -36.063 -1.656 9.100 1.00 0.00 N ATOM 0 H GLN A 24 -36.895 1.688 11.953 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.527 0.054 12.452 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.993 0.809 10.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.491 1.704 10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.839 -0.302 9.066 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.386 -0.626 10.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -36.065 -0.906 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -36.738 -2.418 9.028 1.00 0.00 H new ATOM 329 N ALA A 25 -34.587 3.079 13.177 1.00 0.00 N ATOM 330 CA ALA A 25 -33.834 4.230 13.645 1.00 0.00 C ATOM 331 C ALA A 25 -32.701 3.756 14.557 1.00 0.00 C ATOM 332 O ALA A 25 -31.726 4.476 14.767 1.00 0.00 O ATOM 333 CB ALA A 25 -34.779 5.206 14.349 1.00 0.00 C ATOM 0 H ALA A 25 -35.571 3.076 13.444 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.383 4.760 12.806 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.214 6.070 14.700 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.548 5.535 13.651 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.248 4.709 15.198 1.00 0.00 H new ATOM 339 N ARG A 26 -32.866 2.548 15.074 1.00 0.00 N ATOM 340 CA ARG A 26 -31.869 1.969 15.958 1.00 0.00 C ATOM 341 C ARG A 26 -30.623 1.570 15.164 1.00 0.00 C ATOM 342 O ARG A 26 -29.511 1.608 15.688 1.00 0.00 O ATOM 343 CB ARG A 26 -32.421 0.738 16.680 1.00 0.00 C ATOM 344 CG ARG A 26 -31.994 0.726 18.149 1.00 0.00 C ATOM 345 CD ARG A 26 -30.793 -0.198 18.363 1.00 0.00 C ATOM 346 NE ARG A 26 -30.560 -0.398 19.811 1.00 0.00 N ATOM 347 CZ ARG A 26 -29.458 -0.983 20.327 1.00 0.00 C ATOM 348 NH1 ARG A 26 -28.476 -1.430 19.515 1.00 0.00 N ATOM 349 NH2 ARG A 26 -29.354 -1.110 21.636 1.00 0.00 N ATOM 0 H ARG A 26 -33.676 1.954 14.898 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.606 2.723 16.700 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.509 0.731 16.614 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.066 -0.167 16.187 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.740 1.738 18.466 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.826 0.396 18.771 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -30.972 -1.158 17.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -29.905 0.232 17.899 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.277 -0.073 20.460 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -28.564 -1.327 18.504 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -27.647 -1.871 19.913 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -30.100 -0.769 22.242 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -28.528 -1.550 22.042 1.00 0.00 H new ATOM 362 N ALA A 27 -30.852 1.197 13.914 1.00 0.00 N ATOM 363 CA ALA A 27 -29.762 0.792 13.043 1.00 0.00 C ATOM 364 C ALA A 27 -28.912 2.016 12.693 1.00 0.00 C ATOM 365 O ALA A 27 -27.706 1.899 12.482 1.00 0.00 O ATOM 366 CB ALA A 27 -30.330 0.103 11.800 1.00 0.00 C ATOM 0 H ALA A 27 -31.776 1.167 13.483 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.115 0.074 13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.512 -0.201 11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.900 -0.776 12.100 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.983 0.794 11.267 1.00 0.00 H new ATOM 372 N ARG A 28 -29.576 3.162 12.642 1.00 0.00 N ATOM 373 CA ARG A 28 -28.896 4.406 12.322 1.00 0.00 C ATOM 374 C ARG A 28 -27.831 4.716 13.376 1.00 0.00 C ATOM 375 O ARG A 28 -26.809 5.327 13.069 1.00 0.00 O ATOM 376 CB ARG A 28 -29.886 5.571 12.249 1.00 0.00 C ATOM 377 CG ARG A 28 -29.442 6.603 11.210 1.00 0.00 C ATOM 378 CD ARG A 28 -29.768 8.023 11.675 1.00 0.00 C ATOM 379 NE ARG A 28 -31.174 8.352 11.350 1.00 0.00 N ATOM 380 CZ ARG A 28 -31.607 8.688 10.116 1.00 0.00 C ATOM 381 NH1 ARG A 28 -30.744 8.742 9.079 1.00 0.00 N ATOM 382 NH2 ARG A 28 -32.886 8.963 9.939 1.00 0.00 N ATOM 0 H ARG A 28 -30.577 3.255 12.817 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.422 4.284 11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.877 5.196 11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.967 6.046 13.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.370 6.511 11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.938 6.405 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.605 8.109 12.749 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -29.098 8.735 11.193 1.00 0.00 H new ATOM 0 HE ARG A 28 -31.859 8.323 12.105 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -29.757 8.528 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -31.079 8.997 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -33.531 8.920 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -33.229 9.219 9.013 1.00 0.00 H new ATOM 395 N GLU A 29 -28.107 4.279 14.596 1.00 0.00 N ATOM 396 CA GLU A 29 -27.185 4.502 15.696 1.00 0.00 C ATOM 397 C GLU A 29 -26.061 3.464 15.666 1.00 0.00 C ATOM 398 O GLU A 29 -24.969 3.712 16.174 1.00 0.00 O ATOM 399 CB GLU A 29 -27.918 4.478 17.039 1.00 0.00 C ATOM 400 CG GLU A 29 -28.167 5.897 17.553 1.00 0.00 C ATOM 401 CD GLU A 29 -28.056 5.956 19.078 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.162 4.917 19.748 1.00 0.00 O ATOM 403 OE2 GLU A 29 -27.851 7.133 19.565 1.00 0.00 O ATOM 0 H GLU A 29 -28.956 3.772 14.847 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.742 5.491 15.578 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.868 3.955 16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.330 3.921 17.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.446 6.581 17.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -29.157 6.231 17.244 1.00 0.00 H new ATOM 411 N ARG A 30 -26.369 2.324 15.066 1.00 0.00 N ATOM 412 CA ARG A 30 -25.398 1.247 14.963 1.00 0.00 C ATOM 413 C ARG A 30 -24.587 1.385 13.673 1.00 0.00 C ATOM 414 O ARG A 30 -23.433 0.963 13.614 1.00 0.00 O ATOM 415 CB ARG A 30 -26.087 -0.119 14.980 1.00 0.00 C ATOM 416 CG ARG A 30 -26.105 -0.707 16.393 1.00 0.00 C ATOM 417 CD ARG A 30 -24.918 -1.647 16.610 1.00 0.00 C ATOM 418 NE ARG A 30 -25.359 -2.861 17.333 1.00 0.00 N ATOM 419 CZ ARG A 30 -24.521 -3.807 17.806 1.00 0.00 C ATOM 420 NH1 ARG A 30 -23.187 -3.688 17.636 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.024 -4.851 18.438 1.00 0.00 N ATOM 0 H ARG A 30 -27.276 2.122 14.646 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.733 1.317 15.824 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.108 -0.020 14.610 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.568 -0.800 14.305 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.074 0.099 17.127 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.037 -1.249 16.553 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -24.482 -1.924 15.650 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.140 -1.138 17.178 1.00 0.00 H new ATOM 0 HE ARG A 30 -26.360 -2.991 17.483 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -22.805 -2.878 17.147 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -22.561 -4.408 17.997 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.033 -4.934 18.563 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -24.404 -5.575 18.801 1.00 0.00 H new ATOM 434 N GLU A 31 -25.222 1.978 12.673 1.00 0.00 N ATOM 435 CA GLU A 31 -24.574 2.176 11.388 1.00 0.00 C ATOM 436 C GLU A 31 -23.486 3.246 11.502 1.00 0.00 C ATOM 437 O GLU A 31 -22.512 3.228 10.752 1.00 0.00 O ATOM 438 CB GLU A 31 -25.595 2.546 10.310 1.00 0.00 C ATOM 439 CG GLU A 31 -25.040 2.268 8.911 1.00 0.00 C ATOM 440 CD GLU A 31 -26.158 2.279 7.866 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.767 1.232 7.600 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.386 3.427 7.324 1.00 0.00 O ATOM 0 H GLU A 31 -26.179 2.328 12.727 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.105 1.238 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.512 1.976 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.857 3.600 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.292 3.019 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.537 1.301 8.901 1.00 0.00 H new ATOM 450 N ARG A 32 -23.689 4.153 12.447 1.00 0.00 N ATOM 451 CA ARG A 32 -22.738 5.228 12.669 1.00 0.00 C ATOM 452 C ARG A 32 -21.362 4.657 13.017 1.00 0.00 C ATOM 453 O ARG A 32 -20.338 5.264 12.708 1.00 0.00 O ATOM 454 CB ARG A 32 -23.201 6.148 13.801 1.00 0.00 C ATOM 455 CG ARG A 32 -22.957 7.617 13.448 1.00 0.00 C ATOM 456 CD ARG A 32 -23.890 8.534 14.242 1.00 0.00 C ATOM 457 NE ARG A 32 -23.099 9.539 14.986 1.00 0.00 N ATOM 458 CZ ARG A 32 -23.577 10.738 15.381 1.00 0.00 C ATOM 459 NH1 ARG A 32 -24.850 11.092 15.104 1.00 0.00 N ATOM 460 NH2 ARG A 32 -22.781 11.559 16.041 1.00 0.00 N ATOM 0 H ARG A 32 -24.499 4.165 13.067 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.672 5.807 11.748 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.262 5.988 13.994 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.669 5.898 14.719 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.920 7.878 13.658 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.114 7.769 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.584 9.033 13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.489 7.944 14.936 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.131 9.311 15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.458 10.452 14.593 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.204 12.000 15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.820 11.284 16.245 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.127 12.469 16.347 1.00 0.00 H new ATOM 473 N LEU A 33 -21.383 3.495 13.654 1.00 0.00 N ATOM 474 CA LEU A 33 -20.150 2.835 14.047 1.00 0.00 C ATOM 475 C LEU A 33 -19.690 1.910 12.919 1.00 0.00 C ATOM 476 O LEU A 33 -18.551 1.445 12.917 1.00 0.00 O ATOM 477 CB LEU A 33 -20.327 2.125 15.391 1.00 0.00 C ATOM 478 CG LEU A 33 -19.309 2.480 16.476 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.972 2.532 17.854 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.120 1.518 16.449 1.00 0.00 C ATOM 0 H LEU A 33 -22.235 2.994 13.908 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.358 3.568 14.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.324 2.349 15.769 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.285 1.049 15.219 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.921 3.477 16.267 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.226 2.786 18.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.758 3.288 17.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.405 1.559 18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.412 1.793 17.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.471 0.500 16.620 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.629 1.574 15.478 1.00 0.00 H new ATOM 492 N ALA A 34 -20.600 1.670 11.986 1.00 0.00 N ATOM 493 CA ALA A 34 -20.302 0.809 10.854 1.00 0.00 C ATOM 494 C ALA A 34 -19.556 1.614 9.788 1.00 0.00 C ATOM 495 O ALA A 34 -19.279 1.107 8.702 1.00 0.00 O ATOM 496 CB ALA A 34 -21.599 0.197 10.322 1.00 0.00 C ATOM 0 H ALA A 34 -21.544 2.057 11.991 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.655 -0.014 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.375 -0.449 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.074 -0.389 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.273 0.992 10.005 1.00 0.00 H new ATOM 502 N HIS A 35 -19.253 2.856 10.135 1.00 0.00 N ATOM 503 CA HIS A 35 -18.545 3.737 9.221 1.00 0.00 C ATOM 504 C HIS A 35 -17.037 3.601 9.442 1.00 0.00 C ATOM 505 O HIS A 35 -16.242 4.080 8.636 1.00 0.00 O ATOM 506 CB HIS A 35 -19.038 5.178 9.365 1.00 0.00 C ATOM 507 CG HIS A 35 -20.100 5.567 8.364 1.00 0.00 C ATOM 508 ND1 HIS A 35 -21.424 5.763 8.715 1.00 0.00 N ATOM 509 CD2 HIS A 35 -20.019 5.793 7.022 1.00 0.00 C ATOM 510 CE1 HIS A 35 -22.101 6.092 7.625 1.00 0.00 C ATOM 511 NE2 HIS A 35 -21.229 6.110 6.576 1.00 0.00 N ATOM 0 H HIS A 35 -19.485 3.274 11.036 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.754 3.444 8.192 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.433 5.317 10.371 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.189 5.854 9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -19.123 5.726 6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -23.158 6.308 7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -21.467 6.330 5.609 1.00 0.00 H new ATOM 519 N SER A 36 -16.689 2.945 10.540 1.00 0.00 N ATOM 520 CA SER A 36 -15.291 2.739 10.877 1.00 0.00 C ATOM 521 C SER A 36 -14.791 1.431 10.262 1.00 0.00 C ATOM 522 O SER A 36 -13.587 1.235 10.104 1.00 0.00 O ATOM 523 CB SER A 36 -15.086 2.725 12.393 1.00 0.00 C ATOM 524 OG SER A 36 -14.169 3.730 12.817 1.00 0.00 O ATOM 0 H SER A 36 -17.351 2.549 11.207 1.00 0.00 H new ATOM 0 HA SER A 36 -14.715 3.569 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.044 2.876 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.718 1.746 12.700 1.00 0.00 H new ATOM 0 HG SER A 36 -14.066 3.689 13.791 1.00 0.00 H new ATOM 530 N ARG A 37 -15.741 0.568 9.932 1.00 0.00 N ATOM 531 CA ARG A 37 -15.412 -0.716 9.338 1.00 0.00 C ATOM 532 C ARG A 37 -15.368 -0.600 7.813 1.00 0.00 C ATOM 533 O ARG A 37 -15.324 -1.609 7.111 1.00 0.00 O ATOM 534 CB ARG A 37 -16.434 -1.784 9.732 1.00 0.00 C ATOM 535 CG ARG A 37 -15.743 -3.106 10.073 1.00 0.00 C ATOM 536 CD ARG A 37 -16.760 -4.243 10.185 1.00 0.00 C ATOM 537 NE ARG A 37 -16.384 -5.350 9.276 1.00 0.00 N ATOM 538 CZ ARG A 37 -16.756 -6.635 9.455 1.00 0.00 C ATOM 539 NH1 ARG A 37 -17.518 -6.987 10.512 1.00 0.00 N ATOM 540 NH2 ARG A 37 -16.363 -7.543 8.581 1.00 0.00 N ATOM 0 H ARG A 37 -16.739 0.733 10.065 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.432 -1.012 9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.012 -1.440 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.138 -1.938 8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.008 -3.345 9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.200 -3.005 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.803 -4.604 11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.756 -3.877 9.934 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.808 -5.127 8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.817 -6.280 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.795 -7.960 10.640 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.787 -7.269 7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.635 -8.519 8.702 1.00 0.00 H new ATOM 553 N ALA A 38 -15.383 0.639 7.345 1.00 0.00 N ATOM 554 CA ALA A 38 -15.346 0.900 5.916 1.00 0.00 C ATOM 555 C ALA A 38 -14.064 0.309 5.327 1.00 0.00 C ATOM 556 O ALA A 38 -14.117 -0.500 4.402 1.00 0.00 O ATOM 557 CB ALA A 38 -15.461 2.406 5.668 1.00 0.00 C ATOM 0 H ALA A 38 -15.420 1.474 7.930 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.189 0.422 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.433 2.601 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.402 2.772 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.630 2.919 6.152 1.00 0.00 H new ATOM 563 N ALA A 39 -12.941 0.736 5.887 1.00 0.00 N ATOM 564 CA ALA A 39 -11.648 0.258 5.429 1.00 0.00 C ATOM 565 C ALA A 39 -11.645 -1.272 5.428 1.00 0.00 C ATOM 566 O ALA A 39 -12.645 -1.898 5.774 1.00 0.00 O ATOM 567 CB ALA A 39 -10.545 0.843 6.313 1.00 0.00 C ATOM 0 H ALA A 39 -12.900 1.408 6.654 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.457 0.588 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.575 0.484 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.571 1.931 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.702 0.531 7.345 1.00 0.00 H new ATOM 573 N ALA A 40 -10.508 -1.829 5.035 1.00 0.00 N ATOM 574 CA ALA A 40 -10.362 -3.273 4.984 1.00 0.00 C ATOM 575 C ALA A 40 -9.950 -3.788 6.364 1.00 0.00 C ATOM 576 O ALA A 40 -8.924 -4.454 6.502 1.00 0.00 O ATOM 577 CB ALA A 40 -9.352 -3.647 3.897 1.00 0.00 C ATOM 0 H ALA A 40 -9.680 -1.306 4.749 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.309 -3.745 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.243 -4.731 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.705 -3.284 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.388 -3.193 4.125 1.00 0.00 H new ATOM 583 N ALA A 41 -10.770 -3.462 7.352 1.00 0.00 N ATOM 584 CA ALA A 41 -10.504 -3.883 8.717 1.00 0.00 C ATOM 585 C ALA A 41 -9.243 -3.181 9.226 1.00 0.00 C ATOM 586 O ALA A 41 -8.235 -3.830 9.501 1.00 0.00 O ATOM 587 CB ALA A 41 -10.382 -5.407 8.766 1.00 0.00 C ATOM 0 H ALA A 41 -11.620 -2.911 7.234 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.327 -3.600 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.182 -5.723 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.313 -5.858 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.564 -5.727 8.121 1.00 0.00 H new ATOM 593 N ALA A 42 -9.341 -1.864 9.335 1.00 0.00 N ATOM 594 CA ALA A 42 -8.221 -1.067 9.806 1.00 0.00 C ATOM 595 C ALA A 42 -8.544 -0.511 11.195 1.00 0.00 C ATOM 596 O ALA A 42 -7.881 -0.852 12.173 1.00 0.00 O ATOM 597 CB ALA A 42 -7.919 0.038 8.792 1.00 0.00 C ATOM 0 H ALA A 42 -10.179 -1.329 9.105 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.325 -1.681 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.079 0.636 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.667 -0.409 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.795 0.676 8.677 1.00 0.00 H new ATOM 603 N ALA A 43 -9.563 0.334 11.236 1.00 0.00 N ATOM 604 CA ALA A 43 -9.983 0.940 12.489 1.00 0.00 C ATOM 605 C ALA A 43 -10.115 -0.147 13.557 1.00 0.00 C ATOM 606 O ALA A 43 -10.031 0.137 14.751 1.00 0.00 O ATOM 607 CB ALA A 43 -11.289 1.707 12.273 1.00 0.00 C ATOM 0 H ALA A 43 -10.111 0.614 10.422 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.239 1.656 12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.604 2.161 13.212 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.134 2.486 11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.061 1.020 11.925 1.00 0.00 H new ATOM 613 N VAL A 44 -10.319 -1.370 13.089 1.00 0.00 N ATOM 614 CA VAL A 44 -10.464 -2.501 13.990 1.00 0.00 C ATOM 615 C VAL A 44 -9.110 -3.195 14.151 1.00 0.00 C ATOM 616 O VAL A 44 -8.819 -3.759 15.205 1.00 0.00 O ATOM 617 CB VAL A 44 -11.560 -3.439 13.479 1.00 0.00 C ATOM 618 CG1 VAL A 44 -11.122 -4.902 13.585 1.00 0.00 C ATOM 619 CG2 VAL A 44 -12.874 -3.205 14.227 1.00 0.00 C ATOM 0 H VAL A 44 -10.387 -1.602 12.098 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.777 -2.165 14.979 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.729 -3.215 12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.918 -5.548 13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.223 -5.057 12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.912 -5.144 14.627 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.636 -3.884 13.845 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.725 -3.389 15.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.199 -2.175 14.079 1.00 0.00 H new ATOM 629 N ALA A 45 -8.318 -3.132 13.091 1.00 0.00 N ATOM 630 CA ALA A 45 -7.002 -3.747 13.101 1.00 0.00 C ATOM 631 C ALA A 45 -6.341 -3.503 14.460 1.00 0.00 C ATOM 632 O ALA A 45 -6.056 -4.448 15.194 1.00 0.00 O ATOM 633 CB ALA A 45 -6.171 -3.196 11.941 1.00 0.00 C ATOM 0 H ALA A 45 -8.563 -2.664 12.218 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.081 -4.825 12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.184 -3.658 11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.669 -3.421 10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.067 -2.116 12.048 1.00 0.00 H new ATOM 639 N ALA A 46 -6.116 -2.231 14.752 1.00 0.00 N ATOM 640 CA ALA A 46 -5.494 -1.850 16.009 1.00 0.00 C ATOM 641 C ALA A 46 -6.310 -2.422 17.171 1.00 0.00 C ATOM 642 O ALA A 46 -5.775 -3.134 18.018 1.00 0.00 O ATOM 643 CB ALA A 46 -5.370 -0.327 16.078 1.00 0.00 C ATOM 0 H ALA A 46 -6.353 -1.450 14.140 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.487 -2.262 16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.903 -0.042 17.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.757 0.026 15.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.361 0.122 16.013 1.00 0.00 H new ATOM 649 N ALA A 47 -7.592 -2.087 17.172 1.00 0.00 N ATOM 650 CA ALA A 47 -8.487 -2.558 18.215 1.00 0.00 C ATOM 651 C ALA A 47 -8.587 -4.083 18.146 1.00 0.00 C ATOM 652 O ALA A 47 -7.765 -4.734 17.503 1.00 0.00 O ATOM 653 CB ALA A 47 -9.849 -1.877 18.065 1.00 0.00 C ATOM 0 H ALA A 47 -8.032 -1.495 16.467 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.099 -2.298 19.200 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.521 -2.230 18.847 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.727 -0.797 18.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.271 -2.118 17.089 1.00 0.00 H new ATOM 659 N THR A 48 -9.601 -4.609 18.817 1.00 0.00 N ATOM 660 CA THR A 48 -9.819 -6.045 18.840 1.00 0.00 C ATOM 661 C THR A 48 -10.812 -6.417 19.942 1.00 0.00 C ATOM 662 O THR A 48 -11.168 -5.579 20.770 1.00 0.00 O ATOM 663 CB THR A 48 -8.458 -6.728 18.992 1.00 0.00 C ATOM 664 OG1 THR A 48 -8.757 -7.954 19.654 1.00 0.00 O ATOM 665 CG2 THR A 48 -7.540 -5.990 19.969 1.00 0.00 C ATOM 0 H THR A 48 -10.281 -4.066 19.349 1.00 0.00 H new ATOM 0 HA THR A 48 -10.270 -6.391 17.910 1.00 0.00 H new ATOM 0 HB THR A 48 -7.973 -6.794 18.018 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.930 -8.462 19.791 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.588 -6.515 20.041 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.368 -4.975 19.611 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.009 -5.953 20.952 1.00 0.00 H new ATOM 673 N ALA A 49 -11.232 -7.673 19.918 1.00 0.00 N ATOM 674 CA ALA A 49 -12.177 -8.166 20.906 1.00 0.00 C ATOM 675 C ALA A 49 -11.723 -7.730 22.301 1.00 0.00 C ATOM 676 O ALA A 49 -12.545 -7.572 23.203 1.00 0.00 O ATOM 677 CB ALA A 49 -12.300 -9.686 20.781 1.00 0.00 C ATOM 0 H ALA A 49 -10.935 -8.365 19.230 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.167 -7.744 20.735 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.009 -10.056 21.522 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.653 -9.942 19.782 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.326 -10.145 20.950 1.00 0.00 H new ATOM 683 N ALA A 50 -10.418 -7.550 22.434 1.00 0.00 N ATOM 684 CA ALA A 50 -9.845 -7.136 23.704 1.00 0.00 C ATOM 685 C ALA A 50 -9.916 -5.612 23.817 1.00 0.00 C ATOM 686 O ALA A 50 -8.919 -4.962 24.128 1.00 0.00 O ATOM 687 CB ALA A 50 -8.413 -7.662 23.815 1.00 0.00 C ATOM 0 H ALA A 50 -9.740 -7.683 21.683 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.411 -7.556 24.535 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.984 -7.351 24.768 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.420 -8.750 23.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.813 -7.260 22.999 1.00 0.00 H new ATOM 693 N VAL A 51 -11.105 -5.086 23.560 1.00 0.00 N ATOM 694 CA VAL A 51 -11.319 -3.650 23.630 1.00 0.00 C ATOM 695 C VAL A 51 -12.801 -3.372 23.889 1.00 0.00 C ATOM 696 O VAL A 51 -13.469 -2.737 23.074 1.00 0.00 O ATOM 697 CB VAL A 51 -10.799 -2.981 22.356 1.00 0.00 C ATOM 698 CG1 VAL A 51 -11.181 -1.500 22.319 1.00 0.00 C ATOM 699 CG2 VAL A 51 -9.286 -3.161 22.220 1.00 0.00 C ATOM 0 H VAL A 51 -11.930 -5.628 23.303 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.758 -3.220 24.459 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.272 -3.470 21.504 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.799 -1.049 21.403 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.266 -1.403 22.346 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.750 -0.991 23.181 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.943 -2.676 21.306 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.787 -2.711 23.079 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.048 -4.224 22.178 1.00 0.00 H new ATOM 709 N GLU A 52 -13.272 -3.861 25.027 1.00 0.00 N ATOM 710 CA GLU A 52 -14.663 -3.673 25.403 1.00 0.00 C ATOM 711 C GLU A 52 -14.756 -3.084 26.812 1.00 0.00 C ATOM 712 O GLU A 52 -13.773 -3.076 27.552 1.00 0.00 O ATOM 713 CB GLU A 52 -15.440 -4.987 25.306 1.00 0.00 C ATOM 714 CG GLU A 52 -16.898 -4.735 24.920 1.00 0.00 C ATOM 715 CD GLU A 52 -17.284 -5.539 23.677 1.00 0.00 C ATOM 716 OE1 GLU A 52 -17.540 -6.748 23.775 1.00 0.00 O ATOM 717 OE2 GLU A 52 -17.313 -4.863 22.578 1.00 0.00 O ATOM 0 H GLU A 52 -12.715 -4.387 25.701 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.116 -2.969 24.705 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.972 -5.637 24.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.398 -5.510 26.262 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.550 -5.007 25.750 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.049 -3.672 24.731 1.00 0.00 H new ATOM 725 N GLY A 53 -15.947 -2.605 27.141 1.00 0.00 N ATOM 726 CA GLY A 53 -16.181 -2.015 28.448 1.00 0.00 C ATOM 727 C GLY A 53 -16.962 -2.973 29.350 1.00 0.00 C ATOM 728 O GLY A 53 -16.381 -3.631 30.213 1.00 0.00 O ATOM 0 H GLY A 53 -16.760 -2.614 26.525 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.228 -1.766 28.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.734 -1.083 28.336 1.00 0.00 H new ATOM 732 N THR A 54 -18.265 -3.021 29.120 1.00 0.00 N ATOM 733 CA THR A 54 -19.131 -3.888 29.901 1.00 0.00 C ATOM 734 C THR A 54 -19.017 -5.334 29.415 1.00 0.00 C ATOM 735 O THR A 54 -18.718 -5.579 28.247 1.00 0.00 O ATOM 736 CB THR A 54 -20.554 -3.331 29.822 1.00 0.00 C ATOM 737 OG1 THR A 54 -21.007 -3.718 28.527 1.00 0.00 O ATOM 738 CG2 THR A 54 -20.583 -1.802 29.785 1.00 0.00 C ATOM 0 H THR A 54 -18.743 -2.474 28.404 1.00 0.00 H new ATOM 0 HA THR A 54 -18.831 -3.906 30.949 1.00 0.00 H new ATOM 0 HB THR A 54 -21.130 -3.684 30.677 1.00 0.00 H new ATOM 0 HG1 THR A 54 -21.924 -3.399 28.392 1.00 0.00 H new ATOM 0 HG21 THR A 54 -21.616 -1.459 29.729 1.00 0.00 H new ATOM 0 HG22 THR A 54 -20.118 -1.407 30.688 1.00 0.00 H new ATOM 0 HG23 THR A 54 -20.036 -1.449 28.911 1.00 0.00 H new ATOM 746 N GLY A 55 -19.262 -6.255 30.336 1.00 0.00 N ATOM 747 CA GLY A 55 -19.190 -7.671 30.016 1.00 0.00 C ATOM 748 C GLY A 55 -20.348 -8.438 30.659 1.00 0.00 C ATOM 749 O GLY A 55 -21.509 -8.066 30.498 1.00 0.00 O ATOM 0 H GLY A 55 -19.510 -6.048 31.303 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.216 -7.805 28.935 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.241 -8.079 30.365 1.00 0.00 H new ATOM 753 N GLY A 56 -19.990 -9.494 31.374 1.00 0.00 N ATOM 754 CA GLY A 56 -20.984 -10.317 32.042 1.00 0.00 C ATOM 755 C GLY A 56 -20.319 -11.428 32.856 1.00 0.00 C ATOM 756 O GLY A 56 -20.074 -12.518 32.341 1.00 0.00 O ATOM 0 H GLY A 56 -19.026 -9.799 31.505 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -21.594 -9.696 32.698 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -21.655 -10.755 31.303 1.00 0.00 H new ATOM 760 N SER A 57 -20.045 -11.115 34.114 1.00 0.00 N ATOM 761 CA SER A 57 -19.413 -12.073 35.004 1.00 0.00 C ATOM 762 C SER A 57 -20.151 -12.109 36.344 1.00 0.00 C ATOM 763 O SER A 57 -20.885 -11.181 36.677 1.00 0.00 O ATOM 764 CB SER A 57 -17.937 -11.734 35.220 1.00 0.00 C ATOM 765 OG SER A 57 -17.761 -10.413 35.724 1.00 0.00 O ATOM 0 H SER A 57 -20.250 -10.210 34.538 1.00 0.00 H new ATOM 0 HA SER A 57 -19.467 -13.058 34.540 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.499 -12.449 35.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.400 -11.837 34.277 1.00 0.00 H new ATOM 0 HG SER A 57 -16.805 -10.236 35.850 1.00 0.00 H new ATOM 771 N GLY A 58 -19.930 -13.191 37.076 1.00 0.00 N ATOM 772 CA GLY A 58 -20.565 -13.361 38.372 1.00 0.00 C ATOM 773 C GLY A 58 -19.520 -13.496 39.481 1.00 0.00 C ATOM 774 O GLY A 58 -18.985 -12.498 39.961 1.00 0.00 O ATOM 0 H GLY A 58 -19.320 -13.959 36.796 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -21.212 -12.508 38.579 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -21.200 -14.247 38.356 1.00 0.00 H new ATOM 778 N GLY A 59 -19.260 -14.741 39.856 1.00 0.00 N ATOM 779 CA GLY A 59 -18.288 -15.020 40.900 1.00 0.00 C ATOM 780 C GLY A 59 -17.365 -16.171 40.495 1.00 0.00 C ATOM 781 O GLY A 59 -17.691 -17.337 40.709 1.00 0.00 O ATOM 0 H GLY A 59 -19.705 -15.567 39.456 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.696 -14.127 41.099 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.805 -15.272 41.826 1.00 0.00 H new ATOM 785 N GLY A 60 -16.231 -15.802 39.917 1.00 0.00 N ATOM 786 CA GLY A 60 -15.258 -16.790 39.480 1.00 0.00 C ATOM 787 C GLY A 60 -14.289 -17.141 40.611 1.00 0.00 C ATOM 788 O GLY A 60 -14.495 -16.743 41.756 1.00 0.00 O ATOM 0 H GLY A 60 -15.964 -14.833 39.741 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.773 -17.690 39.145 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.701 -16.405 38.626 1.00 0.00 H new ATOM 792 N PRO A 61 -13.225 -17.903 40.240 1.00 0.00 N ATOM 793 CA PRO A 61 -12.223 -18.312 41.209 1.00 0.00 C ATOM 794 C PRO A 61 -11.304 -17.145 41.575 1.00 0.00 C ATOM 795 O PRO A 61 -11.221 -16.163 40.840 1.00 0.00 O ATOM 796 CB PRO A 61 -11.485 -19.465 40.549 1.00 0.00 C ATOM 797 CG PRO A 61 -11.786 -19.357 39.063 1.00 0.00 C ATOM 798 CD PRO A 61 -12.949 -18.392 38.892 1.00 0.00 C ATOM 0 HA PRO A 61 -12.659 -18.626 42.157 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.413 -19.401 40.736 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.821 -20.423 40.947 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.910 -18.999 38.521 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.038 -20.335 38.652 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.690 -17.574 38.219 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.819 -18.892 38.466 1.00 0.00 H new ATOM 806 N HIS A 62 -10.637 -17.292 42.710 1.00 0.00 N ATOM 807 CA HIS A 62 -9.728 -16.262 43.182 1.00 0.00 C ATOM 808 C HIS A 62 -8.633 -16.898 44.041 1.00 0.00 C ATOM 809 O HIS A 62 -7.452 -16.822 43.706 1.00 0.00 O ATOM 810 CB HIS A 62 -10.491 -15.157 43.916 1.00 0.00 C ATOM 811 CG HIS A 62 -9.701 -13.883 44.100 1.00 0.00 C ATOM 812 ND1 HIS A 62 -8.625 -13.787 44.965 1.00 0.00 N ATOM 813 CD2 HIS A 62 -9.842 -12.656 43.521 1.00 0.00 C ATOM 814 CE1 HIS A 62 -8.148 -12.552 44.902 1.00 0.00 C ATOM 815 NE2 HIS A 62 -8.904 -11.853 44.008 1.00 0.00 N ATOM 0 H HIS A 62 -10.708 -18.109 43.317 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.242 -15.784 42.331 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.403 -14.930 43.363 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.795 -15.528 44.895 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.590 -12.384 42.791 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.308 -12.167 45.461 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.771 -10.874 43.755 1.00 0.00 H new ATOM 823 N HIS A 63 -9.065 -17.512 45.133 1.00 0.00 N ATOM 824 CA HIS A 63 -8.137 -18.161 46.044 1.00 0.00 C ATOM 825 C HIS A 63 -8.916 -19.004 47.055 1.00 0.00 C ATOM 826 O HIS A 63 -9.211 -18.543 48.157 1.00 0.00 O ATOM 827 CB HIS A 63 -7.220 -17.133 46.709 1.00 0.00 C ATOM 828 CG HIS A 63 -5.879 -17.686 47.128 1.00 0.00 C ATOM 829 ND1 HIS A 63 -5.277 -17.363 48.332 1.00 0.00 N ATOM 830 CD2 HIS A 63 -5.031 -18.544 46.492 1.00 0.00 C ATOM 831 CE1 HIS A 63 -4.119 -18.002 48.406 1.00 0.00 C ATOM 832 NE2 HIS A 63 -3.968 -18.734 47.264 1.00 0.00 N ATOM 0 H HIS A 63 -10.045 -17.574 45.407 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.486 -18.835 45.487 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.060 -16.304 46.019 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.723 -16.726 47.586 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.196 -18.993 45.524 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.418 -17.952 49.226 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.170 -19.329 47.041 1.00 0.00 H new ATOM 840 N HIS A 64 -9.226 -20.225 46.645 1.00 0.00 N ATOM 841 CA HIS A 64 -9.965 -21.137 47.502 1.00 0.00 C ATOM 842 C HIS A 64 -9.000 -22.141 48.136 1.00 0.00 C ATOM 843 O HIS A 64 -7.807 -22.136 47.835 1.00 0.00 O ATOM 844 CB HIS A 64 -11.099 -21.811 46.728 1.00 0.00 C ATOM 845 CG HIS A 64 -12.466 -21.238 47.018 1.00 0.00 C ATOM 846 ND1 HIS A 64 -13.118 -21.427 48.224 1.00 0.00 N ATOM 847 CD2 HIS A 64 -13.295 -20.479 46.246 1.00 0.00 C ATOM 848 CE1 HIS A 64 -14.287 -20.806 48.169 1.00 0.00 C ATOM 849 NE2 HIS A 64 -14.395 -20.220 46.942 1.00 0.00 N ATOM 0 H HIS A 64 -8.979 -20.604 45.731 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.437 -20.580 48.311 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.899 -21.723 45.660 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.105 -22.875 46.965 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.091 -20.145 45.239 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -15.025 -20.770 48.957 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -15.190 -19.673 46.613 1.00 0.00 H new ATOM 857 N HIS A 65 -9.552 -22.980 49.000 1.00 0.00 N ATOM 858 CA HIS A 65 -8.755 -23.988 49.678 1.00 0.00 C ATOM 859 C HIS A 65 -9.504 -24.487 50.916 1.00 0.00 C ATOM 860 O HIS A 65 -9.884 -23.695 51.777 1.00 0.00 O ATOM 861 CB HIS A 65 -7.361 -23.449 50.006 1.00 0.00 C ATOM 862 CG HIS A 65 -6.734 -24.073 51.229 1.00 0.00 C ATOM 863 ND1 HIS A 65 -6.213 -25.355 51.234 1.00 0.00 N ATOM 864 CD2 HIS A 65 -6.548 -23.577 52.487 1.00 0.00 C ATOM 865 CE1 HIS A 65 -5.738 -25.609 52.444 1.00 0.00 C ATOM 866 NE2 HIS A 65 -5.948 -24.507 53.220 1.00 0.00 N ATOM 0 H HIS A 65 -10.542 -22.982 49.246 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.604 -24.842 49.018 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.707 -23.616 49.150 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.425 -22.371 50.153 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.840 -22.595 52.828 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.267 -26.528 52.761 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.687 -24.413 54.202 1.00 0.00 H new ATOM 874 N GLN A 66 -9.693 -25.797 50.965 1.00 0.00 N ATOM 875 CA GLN A 66 -10.389 -26.411 52.083 1.00 0.00 C ATOM 876 C GLN A 66 -9.741 -25.996 53.405 1.00 0.00 C ATOM 877 O GLN A 66 -8.673 -25.386 53.412 1.00 0.00 O ATOM 878 CB GLN A 66 -10.418 -27.934 51.941 1.00 0.00 C ATOM 879 CG GLN A 66 -9.009 -28.521 52.044 1.00 0.00 C ATOM 880 CD GLN A 66 -9.030 -30.037 51.837 1.00 0.00 C ATOM 881 OE1 GLN A 66 -9.118 -30.816 52.772 1.00 0.00 O ATOM 882 NE2 GLN A 66 -8.945 -30.410 50.563 1.00 0.00 N ATOM 0 H GLN A 66 -9.376 -26.450 50.249 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.421 -26.059 52.081 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.052 -28.363 52.717 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.860 -28.205 50.982 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.363 -28.058 51.299 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.585 -28.290 53.021 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.874 -29.705 49.829 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.951 -31.401 50.320 1.00 0.00 H new ATOM 891 N THR A 67 -10.414 -26.343 54.492 1.00 0.00 N ATOM 892 CA THR A 67 -9.916 -26.014 55.817 1.00 0.00 C ATOM 893 C THR A 67 -8.516 -26.596 56.021 1.00 0.00 C ATOM 894 O THR A 67 -7.833 -26.931 55.055 1.00 0.00 O ATOM 895 CB THR A 67 -10.937 -26.512 56.843 1.00 0.00 C ATOM 896 OG1 THR A 67 -10.531 -25.898 58.063 1.00 0.00 O ATOM 897 CG2 THR A 67 -10.805 -28.012 57.119 1.00 0.00 C ATOM 0 H THR A 67 -11.300 -26.849 54.483 1.00 0.00 H new ATOM 0 HA THR A 67 -9.807 -24.937 55.942 1.00 0.00 H new ATOM 0 HB THR A 67 -11.944 -26.295 56.488 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.140 -26.166 58.782 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.552 -28.314 57.853 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.960 -28.567 56.194 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.809 -28.224 57.507 1.00 0.00 H new ATOM 905 N ARG A 68 -8.131 -26.698 57.285 1.00 0.00 N ATOM 906 CA ARG A 68 -6.824 -27.234 57.628 1.00 0.00 C ATOM 907 C ARG A 68 -5.720 -26.378 57.004 1.00 0.00 C ATOM 908 O ARG A 68 -5.504 -26.423 55.794 1.00 0.00 O ATOM 909 CB ARG A 68 -6.677 -28.678 57.143 1.00 0.00 C ATOM 910 CG ARG A 68 -5.369 -29.293 57.645 1.00 0.00 C ATOM 911 CD ARG A 68 -4.926 -30.449 56.746 1.00 0.00 C ATOM 912 NE ARG A 68 -3.503 -30.286 56.376 1.00 0.00 N ATOM 913 CZ ARG A 68 -3.075 -29.583 55.305 1.00 0.00 C ATOM 914 NH1 ARG A 68 -3.959 -28.972 54.489 1.00 0.00 N ATOM 915 NH2 ARG A 68 -1.778 -29.503 55.069 1.00 0.00 N ATOM 0 H ARG A 68 -8.701 -26.419 58.084 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.732 -27.217 58.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.521 -29.271 57.495 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.701 -28.704 56.054 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.591 -28.530 57.672 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.500 -29.651 58.666 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.069 -31.398 57.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.543 -30.479 55.848 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.801 -30.732 56.967 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.959 -29.039 54.679 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.627 -28.443 53.682 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.117 -29.968 55.691 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.438 -28.976 54.265 1.00 0.00 H new ATOM 928 N GLY A 69 -5.049 -25.619 57.858 1.00 0.00 N ATOM 929 CA GLY A 69 -3.972 -24.755 57.406 1.00 0.00 C ATOM 930 C GLY A 69 -2.704 -24.982 58.232 1.00 0.00 C ATOM 931 O GLY A 69 -1.776 -25.650 57.779 1.00 0.00 O ATOM 0 H GLY A 69 -5.231 -25.585 58.861 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.764 -24.947 56.353 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.280 -23.712 57.485 1.00 0.00 H new ATOM 935 N ALA A 70 -2.706 -24.413 59.428 1.00 0.00 N ATOM 936 CA ALA A 70 -1.567 -24.545 60.321 1.00 0.00 C ATOM 937 C ALA A 70 -1.948 -25.445 61.498 1.00 0.00 C ATOM 938 O ALA A 70 -3.120 -25.535 61.861 1.00 0.00 O ATOM 939 CB ALA A 70 -1.109 -23.157 60.773 1.00 0.00 C ATOM 0 H ALA A 70 -3.478 -23.860 59.800 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.728 -25.014 59.806 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.255 -23.256 61.443 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.821 -22.567 59.903 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.924 -22.657 61.296 1.00 0.00 H new ATOM 945 N TYR A 71 -0.936 -26.089 62.061 1.00 0.00 N ATOM 946 CA TYR A 71 -1.151 -26.979 63.189 1.00 0.00 C ATOM 947 C TYR A 71 -1.780 -26.231 64.367 1.00 0.00 C ATOM 948 O TYR A 71 -1.280 -25.186 64.780 1.00 0.00 O ATOM 949 CB TYR A 71 0.235 -27.480 63.601 1.00 0.00 C ATOM 950 CG TYR A 71 0.207 -28.680 64.550 1.00 0.00 C ATOM 951 CD1 TYR A 71 -0.392 -28.566 65.788 1.00 0.00 C ATOM 952 CD2 TYR A 71 0.780 -29.876 64.168 1.00 0.00 C ATOM 953 CE1 TYR A 71 -0.419 -29.695 66.681 1.00 0.00 C ATOM 954 CE2 TYR A 71 0.753 -31.005 65.061 1.00 0.00 C ATOM 955 CZ TYR A 71 0.155 -30.859 66.274 1.00 0.00 C ATOM 956 OH TYR A 71 0.130 -31.925 67.117 1.00 0.00 O ATOM 0 H TYR A 71 0.035 -26.012 61.757 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.825 -27.790 62.914 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.793 -27.752 62.705 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.777 -26.664 64.079 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.840 -27.630 66.087 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.249 -29.965 63.199 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.885 -29.619 67.652 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.198 -31.947 64.774 1.00 0.00 H new ATOM 0 HH TYR A 71 0.576 -32.688 66.693 1.00 0.00 H new ATOM 966 N SER A 72 -2.866 -26.795 64.873 1.00 0.00 N ATOM 967 CA SER A 72 -3.568 -26.194 65.994 1.00 0.00 C ATOM 968 C SER A 72 -2.767 -26.396 67.282 1.00 0.00 C ATOM 969 O SER A 72 -2.460 -27.527 67.655 1.00 0.00 O ATOM 970 CB SER A 72 -4.972 -26.783 66.144 1.00 0.00 C ATOM 971 OG SER A 72 -5.855 -25.893 66.823 1.00 0.00 O ATOM 0 H SER A 72 -3.277 -27.662 64.527 1.00 0.00 H new ATOM 0 HA SER A 72 -3.670 -25.126 65.801 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.376 -27.012 65.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.914 -27.724 66.691 1.00 0.00 H new ATOM 0 HG SER A 72 -6.741 -26.305 66.897 1.00 0.00 H new ATOM 977 N SER A 73 -2.453 -25.282 67.926 1.00 0.00 N ATOM 978 CA SER A 73 -1.693 -25.322 69.164 1.00 0.00 C ATOM 979 C SER A 73 -1.639 -23.927 69.790 1.00 0.00 C ATOM 980 O SER A 73 -1.375 -22.944 69.101 1.00 0.00 O ATOM 981 CB SER A 73 -0.278 -25.853 68.926 1.00 0.00 C ATOM 982 OG SER A 73 0.266 -26.466 70.091 1.00 0.00 O ATOM 0 H SER A 73 -2.711 -24.346 67.614 1.00 0.00 H new ATOM 0 HA SER A 73 -2.195 -26.003 69.851 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.295 -26.576 68.110 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.369 -25.033 68.612 1.00 0.00 H new ATOM 0 HG SER A 73 1.169 -26.793 69.897 1.00 0.00 H new ATOM 988 N HIS A 74 -1.892 -23.887 71.090 1.00 0.00 N ATOM 989 CA HIS A 74 -1.875 -22.629 71.817 1.00 0.00 C ATOM 990 C HIS A 74 -0.431 -22.155 71.990 1.00 0.00 C ATOM 991 O HIS A 74 0.190 -22.408 73.022 1.00 0.00 O ATOM 992 CB HIS A 74 -2.620 -22.759 73.147 1.00 0.00 C ATOM 993 CG HIS A 74 -4.115 -22.913 73.002 1.00 0.00 C ATOM 994 ND1 HIS A 74 -4.882 -22.073 72.213 1.00 0.00 N ATOM 995 CD2 HIS A 74 -4.976 -23.817 73.551 1.00 0.00 C ATOM 996 CE1 HIS A 74 -6.145 -22.463 72.292 1.00 0.00 C ATOM 997 NE2 HIS A 74 -6.202 -23.544 73.122 1.00 0.00 N ATOM 0 H HIS A 74 -2.110 -24.705 71.658 1.00 0.00 H new ATOM 0 HA HIS A 74 -2.404 -21.868 71.244 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.227 -23.620 73.689 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.413 -21.878 73.755 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.706 -24.619 74.222 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.983 -22.005 71.788 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.047 -24.058 73.372 1.00 0.00 H new ATOM 1005 N ASP A 75 0.063 -21.478 70.964 1.00 0.00 N ATOM 1006 CA ASP A 75 1.423 -20.967 70.990 1.00 0.00 C ATOM 1007 C ASP A 75 2.356 -22.040 71.555 1.00 0.00 C ATOM 1008 O ASP A 75 3.455 -22.245 71.043 1.00 0.00 O ATOM 1009 CB ASP A 75 1.530 -19.729 71.883 1.00 0.00 C ATOM 1010 CG ASP A 75 0.985 -19.907 73.302 1.00 0.00 C ATOM 1011 OD1 ASP A 75 1.606 -20.570 74.146 1.00 0.00 O ATOM 1012 OD2 ASP A 75 -0.142 -19.323 73.530 1.00 0.00 O ATOM 0 H ASP A 75 -0.454 -21.271 70.109 1.00 0.00 H new ATOM 0 HA ASP A 75 1.702 -20.701 69.971 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.578 -19.435 71.946 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.996 -18.907 71.405 1.00 0.00 H new TER 1018 ASP A 75